2-[3-[ethoxycarbonyl(methyl)amino]-4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoic acid

Systemtic Name: 2-[3-[ethoxycarbonyl(methyl)amino]-4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoic acid Openeye Name: 2-[3-[ethoxycarbonyl(methyl)amino]-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid CAS Name: 2-[3-[ethoxycarbonyl(methyl)amino]-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid IUPAC Name: 2-[3-[ethoxycarbonyl(methyl)amino]-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Traditional Name: 2-[3-[carbethoxy(methyl)amino]-4-keto-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(C)C1C(SC2=CC=CC=C2N(C1=O)CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N(C)C1C(SC2=CC=CC=C2N(C1=O)CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O5S/c1-3-28-21(27)22(2)18-19(14-9-5-4-6-10-14)29-16-12-8-7-11-15(16)23(20(18)26)13-17(24)25/h4-12,18-19H,3,13H2,1-2H3,(H,24,25)