2-azanyl-4-[1,3-diethoxy-1,3-bis(oxidanylidene)-2-phenyl-propan-2-yl]thiophene-3-carboxylic acid

Systemtic Name: 2-azanyl-4-[1,3-diethoxy-1,3-bis(oxidanylidene)-2-phenyl-propan-2-yl]thiophene-3-carboxylic acid Openeye Name: 2-amino-4-(2-ethoxy-1-ethoxycarbonyl-2-oxo-1-phenyl-ethyl)thiophene-3-carboxylic acid CAS Name: 2-amino-4-(1,3-diethoxy-1,3-dioxo-2-phenylpropan-2-yl)-3-thiophenecarboxylic acid IUPAC Name: 2-amino-4-(1,3-diethoxy-1,3-dioxo-2-phenylpropan-2-yl)thiophene-3-carboxylic acid Traditional Name: 2-amino-4-(1-carbethoxy-2-ethoxy-2-keto-1-phenyl-ethyl)-3-thenoic acid Formula: C18H19NO6S MolecularWeight: 377.41156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)(C2=CSC(=C2C(=O)O)N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1)(C2=CSC(=C2C(=O)O)N)C(=O)OCC

InChI

InChI=1S/C18H19NO6S/c1-3-24-16(22)18(17(23)25-4-2,11-8-6-5-7-9-11)12-10-26-14(19)13(12)15(20)21/h5-10H,3-4,19H2,1-2H3,(H,20,21)