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

Systemtic Name: methyl 2-[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C18H22N4O3S2 MolecularWeight: 406.52228

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CSC2=NN=C(N2CC=C)C3CC3)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CSC2=NN=C(N2CC=C)C3CC3)C(=O)OC

InChI

InChI=1S/C18H22N4O3S2/c1-4-8-22-15(11-6-7-11)20-21-18(22)26-10-14(23)19-16-13(17(24)25-3)9-12(5-2)27-16/h4,9,11H,1,5-8,10H2,2-3H3,(H,19,23)