2-[methyl-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-8-yl)sulfonyl]amino]ethanoic acid

Systemtic Name: 2-[methyl-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-8-yl)sulfonyl]amino]ethanoic acid Openeye Name: 2-[methyl-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-8-yl)sulfonyl]amino]acetic acid CAS Name: 2-[methyl-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-8-yl)sulfonyl]amino]acetic acid IUPAC Name: 2-[methyl-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-8-yl)sulfonyl]amino]acetic acid Traditional Name: 2-[(4-keto-3,5-dihydro-2H-1,5-benzothiazepin-8-yl)sulfonyl-methyl-amino]acetic acid Formula: C12H14N2O5S2 MolecularWeight: 330.37996

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)S(=O)(=O)C1=CC2=C(C=C1)NC(=O)CCS2

Isomeric SMILES

CN(CC(=O)O)S(=O)(=O)C1=CC2=C(C=C1)NC(=O)CCS2

InChI

InChI=1S/C12H14N2O5S2/c1-14(7-12(16)17)21(18,19)8-2-3-9-10(6-8)20-5-4-11(15)13-9/h2-3,6H,4-5,7H2,1H3,(H,13,15)(H,16,17)