4-[[3-aminocarbonyl-4-(3,4-dimethylphenyl)thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-aminocarbonyl-4-(3,4-dimethylphenyl)thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-carbamoyl-4-(3,4-dimethylphenyl)-2-thienyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[3-carbamoyl-4-(3,4-dimethylphenyl)-2-thiophenyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[3-carbamoyl-4-(3,4-dimethylphenyl)thiophen-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[3-carbamoyl-4-(3,4-dimethylphenyl)-2-thienyl]amino]-4-keto-butyric acid Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC(=C2C(=O)N)NC(=O)CCC(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC(=C2C(=O)N)NC(=O)CCC(=O)O)C

InChI

InChI=1S/C17H18N2O4S/c1-9-3-4-11(7-10(9)2)12-8-24-17(15(12)16(18)23)19-13(20)5-6-14(21)22/h3-4,7-8H,5-6H2,1-2H3,(H2,18,23)(H,19,20)(H,21,22)