ethyl 2-[2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylethanoylimino]-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylethanoylimino]-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-allyl-2-[2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanylacetyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-[[2-(1-azepanyl)-2-oxoethyl]thio]-1-oxoethyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylacetyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-allyl-2-[2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]acetyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C23H29N3O4S2 MolecularWeight: 475.62406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)N3CCCCCC3)S2)CC=C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)N3CCCCCC3)S2)CC=C

InChI

InChI=1S/C23H29N3O4S2/c1-3-11-26-18-10-9-17(22(29)30-4-2)14-19(18)32-23(26)24-20(27)15-31-16-21(28)25-12-7-5-6-8-13-25/h3,9-10,14H,1,4-8,11-13,15-16H2,2H3