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

Systemtic Name: 2-[3-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoic acid Openeye Name: 2-[3-[(2-ethoxy-2-oxo-ethyl)amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid CAS Name: 2-[3-[(2-ethoxy-2-oxoethyl)amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid IUPAC Name: 2-[3-[(2-ethoxy-2-oxoethyl)amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Traditional Name: 2-[3-[(2-ethoxy-2-keto-ethyl)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)CNC1CSC2=CC=CC=C2N(C1=O)CC(=O)O

Isomeric SMILES

CCOC(=O)CNC1CSC2=CC=CC=C2N(C1=O)CC(=O)O

InChI

InChI=1S/C15H18N2O5S/c1-2-22-14(20)7-16-10-9-23-12-6-4-3-5-11(12)17(15(10)21)8-13(18)19/h3-6,10,16H,2,7-9H2,1H3,(H,18,19)