6-[[4-(3,4-dimethylphenyl)-3-methoxycarbonyl-thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[4-(3,4-dimethylphenyl)-3-methoxycarbonyl-thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[4-(3,4-dimethylphenyl)-3-methoxycarbonyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[[4-(3,4-dimethylphenyl)-3-methoxycarbonyl-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[4-(3,4-dimethylphenyl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[3-carbomethoxy-4-(3,4-dimethylphenyl)-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3CC=CCC3C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3CC=CCC3C(=O)O)C

InChI

InChI=1S/C22H23NO5S/c1-12-8-9-14(10-13(12)2)17-11-29-20(18(17)22(27)28-3)23-19(24)15-6-4-5-7-16(15)21(25)26/h4-5,8-11,15-16H,6-7H2,1-3H3,(H,23,24)(H,25,26)