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

Systemtic Name: ethyl 5-[2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C17H22N4O3S2 MolecularWeight: 394.51158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CSC2=NNC(=N2)C3CCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CSC2=NNC(=N2)C3CCCC3)C

InChI

InChI=1S/C17H22N4O3S2/c1-3-24-16(23)14-10(2)8-13(26-14)18-12(22)9-25-17-19-15(20-21-17)11-6-4-5-7-11/h8,11H,3-7,9H2,1-2H3,(H,18,22)(H,19,20,21)