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

Systemtic Name: 2-[3-[(1-ethoxy-1-oxidanylidene-propan-2-yl)amino]-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoic acid Openeye Name: 2-[3-[(2-ethoxy-1-methyl-2-oxo-ethyl)amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid CAS Name: 2-[3-[(1-ethoxy-1-oxopropan-2-yl)amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid IUPAC Name: 2-[3-[(1-ethoxy-1-oxopropan-2-yl)amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Traditional Name: 2-[3-[(2-ethoxy-2-keto-1-methyl-ethyl)amino]-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)NC1CSC2=CC=CC=C2N(C1=O)CC(=O)O

Isomeric SMILES

CCOC(=O)C(C)NC1CSC2=CC=CC=C2N(C1=O)CC(=O)O

InChI

InChI=1S/C16H20N2O5S/c1-3-23-16(22)10(2)17-11-9-24-13-7-5-4-6-12(13)18(15(11)21)8-14(19)20/h4-7,10-11,17H,3,8-9H2,1-2H3,(H,19,20)