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

Systemtic Name: 4-[[4-(3,4-dimethoxyphenyl)-3-methoxycarbonyl-thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[4-(3,4-dimethoxyphenyl)-3-methoxycarbonyl-2-thienyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[4-(3,4-dimethoxyphenyl)-3-methoxycarbonyl-2-thiophenyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[4-(3,4-dimethoxyphenyl)-3-methoxycarbonylthiophen-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[3-carbomethoxy-4-(3,4-dimethoxyphenyl)-2-thienyl]amino]-4-keto-butyric acid Formula: C18H19NO7S MolecularWeight: 393.41096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CCC(=O)O)OC

InChI

InChI=1S/C18H19NO7S/c1-24-12-5-4-10(8-13(12)25-2)11-9-27-17(16(11)18(23)26-3)19-14(20)6-7-15(21)22/h4-5,8-9H,6-7H2,1-3H3,(H,19,20)(H,21,22)