(phenylmethyl) N-(4-oxidanylidene-5H-1,5-benzothiazepin-2-yl)carbamate

Systemtic Name: (phenylmethyl) N-(4-oxidanylidene-5H-1,5-benzothiazepin-2-yl)carbamate Openeye Name: benzyl N-(4-oxo-5H-1,5-benzothiazepin-2-yl)carbamate CAS Name: N-(4-oxo-5H-1,5-benzothiazepin-2-yl)carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(4-oxo-5H-1,5-benzothiazepin-2-yl)carbamate Traditional Name: N-(4-keto-5H-1,5-benzothiazepin-2-yl)carbamic acid benzyl ester Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=CC(=O)NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=CC(=O)NC3=CC=CC=C3S2

InChI

InChI=1S/C17H14N2O3S/c20-15-10-16(23-14-9-5-4-8-13(14)18-15)19-17(21)22-11-12-6-2-1-3-7-12/h1-10H,11H2,(H,18,20)(H,19,21)