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

Systemtic Name: methyl 5-aminocarbonyl-2-[2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(4-allyl-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-carbamoyl-2-[[2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4-allyl-5-ethyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H21N5O4S2 MolecularWeight: 423.50974

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC=C)SCC(=O)NC2=C(C(=C(S2)C(=O)N)C)C(=O)OC

Isomeric SMILES

CCC1=NN=C(N1CC=C)SCC(=O)NC2=C(C(=C(S2)C(=O)N)C)C(=O)OC

InChI

InChI=1S/C17H21N5O4S2/c1-5-7-22-10(6-2)20-21-17(22)27-8-11(23)19-15-12(16(25)26-4)9(3)13(28-15)14(18)24/h5H,1,6-8H2,2-4H3,(H2,18,24)(H,19,23)