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

Systemtic Name: (phenylmethyl) N-[(3S)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]carbamate Openeye Name: benzyl N-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]carbamate CAS Name: N-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]carbamate Traditional Name: N-[(3S)-4-keto-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]carbamic acid benzyl ester Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC2=CC=CC=C2S1)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1[C@H](C(=O)NC2=CC=CC=C2S1)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C17H16N2O3S/c20-16-14(11-23-15-9-5-4-8-13(15)18-16)19-17(21)22-10-12-6-2-1-3-7-12/h1-9,14H,10-11H2,(H,18,20)(H,19,21)/t14-/m1/s1