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

Systemtic Name: methyl 5-aminocarbonyl-4-methyl-2-[2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[[4-allyl-5-(2-thienyl)-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-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-carbamoyl-4-methyl-2-[[2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C19H19N5O4S3 MolecularWeight: 477.58026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CS3)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CS3)C(=O)N

InChI

InChI=1S/C19H19N5O4S3/c1-4-7-24-16(11-6-5-8-29-11)22-23-19(24)30-9-12(25)21-17-13(18(27)28-3)10(2)14(31-17)15(20)26/h4-6,8H,1,7,9H2,2-3H3,(H2,20,26)(H,21,25)