2-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-2-yl)amino]-4-phenyl-butanoic acid

Systemtic Name: 2-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-2-yl)amino]-4-phenyl-butanoic acid Openeye Name: 2-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-2-yl)amino]-4-phenyl-butanoic acid CAS Name: 2-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-2-yl)amino]-4-phenylbutanoic acid IUPAC Name: 2-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-2-yl)amino]-4-phenylbutanoic acid Traditional Name: 2-[(4-keto-3,5-dihydro-2H-1,5-benzothiazepin-2-yl)amino]-4-phenyl-butyric acid Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC2=CC=CC=C2NC1=O)NC(CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C(SC2=CC=CC=C2NC1=O)NC(CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H20N2O3S/c22-17-12-18(25-16-9-5-4-8-14(16)20-17)21-15(19(23)24)11-10-13-6-2-1-3-7-13/h1-9,15,18,21H,10-12H2,(H,20,22)(H,23,24)