(phenylmethyl) N-[(3S)-8-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(3S)-8-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]carbamate Openeye Name: benzyl N-[(3S)-8-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]carbamate CAS Name: N-[(3S)-8-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(3S)-8-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]carbamate Traditional Name: N-[(3S)-4-keto-8-methyl-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]carbamic acid benzyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(CS2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)[C@@H](CS2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H18N2O3S/c1-12-7-8-14-16(9-12)24-11-15(17(21)19-14)20-18(22)23-10-13-5-3-2-4-6-13/h2-9,15H,10-11H2,1H3,(H,19,21)(H,20,22)/t15-/m1/s1