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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)CSC3=NN=C(N3CC=C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)CSC3=NN=C(N3CC=C)C

InChI

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