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

Systemtic Name: 2-[3-[ethoxycarbonyl(methyl)amino]-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoic acid Openeye Name: 2-[3-[ethoxycarbonyl(methyl)amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid CAS Name: 2-[3-[ethoxycarbonyl(methyl)amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid IUPAC Name: 2-[3-[ethoxycarbonyl(methyl)amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Traditional Name: 2-[3-[carbethoxy(methyl)amino]-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Formula: C15H18N2O5S MolecularWeight: 338.37882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(C)C1CSC2=CC=CC=C2N(C1=O)CC(=O)O

Isomeric SMILES

CCOC(=O)N(C)C1CSC2=CC=CC=C2N(C1=O)CC(=O)O

InChI

InChI=1S/C15H18N2O5S/c1-3-22-15(21)16(2)11-9-23-12-7-5-4-6-10(12)17(14(11)20)8-13(18)19/h4-7,11H,3,8-9H2,1-2H3,(H,18,19)