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

Systemtic Name: 2-[3-[carboxy(methyl)amino]-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoic acid Openeye Name: 2-[3-[carboxy(methyl)amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid CAS Name: 2-[3-[carboxy(methyl)amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid IUPAC Name: 2-[3-[carboxy(methyl)amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Traditional Name: 2-[3-[carboxy(methyl)amino]-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CSC2=CC=CC=C2N(C1=O)CC(=O)O)C(=O)O

Isomeric SMILES

CN(C1CSC2=CC=CC=C2N(C1=O)CC(=O)O)C(=O)O

InChI

InChI=1S/C13H14N2O5S/c1-14(13(19)20)9-7-21-10-5-3-2-4-8(10)15(12(9)18)6-11(16)17/h2-5,9H,6-7H2,1H3,(H,16,17)(H,19,20)