(phenylmethyl) N-[2-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-2-oxidanylidene-ethyl]carbamate

Systemtic Name: (phenylmethyl) N-[2-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-2-oxidanylidene-ethyl]carbamate Openeye Name: benzyl N-[2-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-2-oxo-ethyl]carbamate CAS Name: N-[2-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-2-oxoethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-2-oxoethyl]carbamate Traditional Name: N-[2-keto-2-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)ethyl]carbamic acid benzyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SCCN(C2)C(=O)CNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)SCCN(C2)C(=O)CNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O4S/c1-25-17-7-8-18-16(11-17)13-22(9-10-27-18)19(23)12-21-20(24)26-14-15-5-3-2-4-6-15/h2-8,11H,9-10,12-14H2,1H3,(H,21,24)