methyl 5-aminocarbonyl-2-[2-[(5-cyclopentyl-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-cyclopentyl-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-cyclopentyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[2-[(5-cyclopentyl-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-cyclopentyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4-allyl-5-cyclopentyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H25N5O4S2 MolecularWeight: 463.5736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NN=C(N2CC=C)C3CCCC3)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NN=C(N2CC=C)C3CCCC3)C(=O)N

InChI

InChI=1S/C20H25N5O4S2/c1-4-9-25-17(12-7-5-6-8-12)23-24-20(25)30-10-13(26)22-18-14(19(28)29-3)11(2)15(31-18)16(21)27/h4,12H,1,5-10H2,2-3H3,(H2,21,27)(H,22,26)