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

Systemtic Name: 4-[[4-(3,4-dimethylphenyl)-3-methoxycarbonyl-thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[4-(3,4-dimethylphenyl)-3-methoxycarbonyl-2-thienyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[4-(3,4-dimethylphenyl)-3-methoxycarbonyl-2-thiophenyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[4-(3,4-dimethylphenyl)-3-methoxycarbonylthiophen-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[3-carbomethoxy-4-(3,4-dimethylphenyl)-2-thienyl]amino]-4-keto-butyric acid Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO5S/c1-10-4-5-12(8-11(10)2)13-9-25-17(16(13)18(23)24-3)19-14(20)6-7-15(21)22/h4-5,8-9H,6-7H2,1-3H3,(H,19,20)(H,21,22)