1,3-benzothiazol-2-ylmethyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate CAS Name: 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Traditional Name: 4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H14N2O3S2 MolecularWeight: 370.44536

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4S3)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4S3)NC1=O

InChI

InChI=1S/C18H14N2O3S2/c21-16-7-8-24-14-6-5-11(9-13(14)19-16)18(22)23-10-17-20-12-3-1-2-4-15(12)25-17/h1-6,9H,7-8,10H2,(H,19,21)