2-[[3-[(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-3-oxidanylidene-propyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[3-[(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-3-oxidanylidene-propyl]carbamoyl]benzoic acid Openeye Name: 2-[[3-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thienyl)amino]-3-oxo-propyl]carbamoyl]benzoic acid CAS Name: 2-[[[3-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thiophenyl)amino]-3-oxopropyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[3-[(3-cyano-5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-3-oxopropyl]carbamoyl]benzoic acid Traditional Name: 2-[[3-[(5-carbethoxy-3-cyano-4-methyl-2-thienyl)amino]-3-keto-propyl]carbamoyl]benzoic acid Formula: C20H19N3O6S MolecularWeight: 429.44636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCNC(=O)C2=CC=CC=C2C(=O)O)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCNC(=O)C2=CC=CC=C2C(=O)O)C#N)C

InChI

InChI=1S/C20H19N3O6S/c1-3-29-20(28)16-11(2)14(10-21)18(30-16)23-15(24)8-9-22-17(25)12-6-4-5-7-13(12)19(26)27/h4-7H,3,8-9H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)