methyl 5-ethyl-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-ethyl-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-ethyl-thiophene-3-carboxylate CAS Name: 5-ethyl-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-ethyl-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-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C19H20N4O3S3 MolecularWeight: 448.5821

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CS3)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CS3)C(=O)OC

InChI

InChI=1S/C19H20N4O3S3/c1-4-8-23-16(14-7-6-9-27-14)21-22-19(23)28-11-15(24)20-17-13(18(25)26-3)10-12(5-2)29-17/h4,6-7,9-10H,1,5,8,11H2,2-3H3,(H,20,24)