methyl 5-aminocarbonyl-4-methyl-2-[2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-aminocarbonyl-4-methyl-2-[2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-carbamoyl-4-methyl-2-[[2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-carbamoyl-4-methyl-2-[[2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[[2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C21H23N5O4S2 MolecularWeight: 473.56842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NN=C(N2C)CCC3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NN=C(N2C)CCC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C21H23N5O4S2/c1-12-16(20(29)30-3)19(32-17(12)18(22)28)23-15(27)11-31-21-25-24-14(26(21)2)10-9-13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3,(H2,22,28)(H,23,27)