methyl 2-[2-[2-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylimino]-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[2-[2-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylimino]-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-allyl-2-[2-[2-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxo-ethyl]sulfanylacetyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-[[2-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]thio]-1-oxoethyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-[2-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfanylacetyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-allyl-2-[2-[[2-[(3-carbethoxy-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-keto-ethyl]thio]acetyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C28H31N3O6S3 MolecularWeight: 601.75724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSCC(=O)N=C3N(C4=C(S3)C=C(C=C4)C(=O)OC)CC=C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSCC(=O)N=C3N(C4=C(S3)C=C(C=C4)C(=O)OC)CC=C

InChI

InChI=1S/C28H31N3O6S3/c1-4-13-31-19-12-11-17(26(34)36-3)14-21(19)40-28(31)30-23(33)16-38-15-22(32)29-25-24(27(35)37-5-2)18-9-7-6-8-10-20(18)39-25/h4,11-12,14H,1,5-10,13,15-16H2,2-3H3,(H,29,32)