2-[(3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-prop-1-enyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-[(3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-prop-1-enyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-[(3-ethoxy-2-ethoxycarbonyl-3-oxo-prop-1-enyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[(3-ethoxy-2-ethoxycarbonyl-3-oxoprop-1-enyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-[(3-ethoxy-2-ethoxycarbonyl-3-oxoprop-1-enyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-[(2-carbethoxy-3-ethoxy-3-keto-prop-1-enyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C17H21NO6S MolecularWeight: 367.41674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=C(C2=C(S1)CCCC2)C(=O)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC1=C(C2=C(S1)CCCC2)C(=O)O)C(=O)OCC

InChI

InChI=1S/C17H21NO6S/c1-3-23-16(21)11(17(22)24-4-2)9-18-14-13(15(19)20)10-7-5-6-8-12(10)25-14/h9,18H,3-8H2,1-2H3,(H,19,20)