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

Systemtic Name: ethyl 5-aminocarbonyl-4-methyl-2-[2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(4-allyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[1-oxo-2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamoyl-4-methyl-2-[[2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[(4-allyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H27N5O4S2 MolecularWeight: 513.63228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CSC2=NN=C(N2CC=C)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CSC2=NN=C(N2CC=C)CCC3=CC=CC=C3

InChI

InChI=1S/C24H27N5O4S2/c1-4-13-29-17(12-11-16-9-7-6-8-10-16)27-28-24(29)34-14-18(30)26-22-19(23(32)33-5-2)15(3)20(35-22)21(25)31/h4,6-10H,1,5,11-14H2,2-3H3,(H2,25,31)(H,26,30)