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

Systemtic Name: methyl 5-aminocarbonyl-4-methyl-2-[2-[(5-propan-2-yl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(4-allyl-5-isopropyl-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-propan-2-yl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-carbamoyl-4-methyl-2-[[2-[(5-propan-2-yl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[(4-allyl-5-isopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H23N5O4S2 MolecularWeight: 437.53632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O4S2/c1-6-7-23-15(9(2)3)21-22-18(23)28-8-11(24)20-16-12(17(26)27-5)10(4)13(29-16)14(19)25/h6,9H,1,7-8H2,2-5H3,(H2,19,25)(H,20,24)