ethyl 5-[2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-3-methyl-4-(phenylcarbamoyl)thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-3-methyl-4-(phenylcarbamoyl)thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methyl-4-(phenylcarbamoyl)thiophene-2-carboxylate CAS Name: 4-[anilino(oxo)methyl]-5-[[2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methyl-4-(phenylcarbamoyl)thiophene-2-carboxylate Traditional Name: 5-[[2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]amino]-3-methyl-4-(phenylcarbamoyl)thiophene-2-carboxylic acid ethyl ester Formula: C27H27N5O6S2 MolecularWeight: 581.66318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NNC(=N2)C3=CC(=CC(=C3)OC)OC)C(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NNC(=N2)C3=CC(=CC(=C3)OC)OC)C(=O)NC4=CC=CC=C4)C

InChI

InChI=1S/C27H27N5O6S2/c1-5-38-26(35)22-15(2)21(24(34)28-17-9-7-6-8-10-17)25(40-22)29-20(33)14-39-27-30-23(31-32-27)16-11-18(36-3)13-19(12-16)37-4/h6-13H,5,14H2,1-4H3,(H,28,34)(H,29,33)(H,30,31,32)