ethyl 2-[2-[2-[(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[2-[(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[2-[(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxo-ethyl]sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[[2-[(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]thio]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-[(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-[[2-keto-2-[(6-methyl-3-propargyl-1,3-benzothiazol-2-ylidene)amino]ethyl]thio]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C27H29N3O4S3 MolecularWeight: 555.73186

Click to see the large picture

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)CC#C

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O4S3/c1-4-13-30-19-12-11-17(3)14-21(19)37-27(30)29-23(32)16-35-15-22(31)28-25-24(26(33)34-5-2)18-9-7-6-8-10-20(18)36-25/h1,11-12,14H,5-10,13,15-16H2,2-3H3,(H,28,31)