methyl 2-[2-[cyclohexyl(methyl)amino]ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[cyclohexyl(methyl)amino]ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[cyclohexyl(methyl)amino]-1-oxoethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CN(C)C2CCCCC2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)CN(C)C2CCCCC2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H28N2O3S/c1-15-19(16-10-6-4-7-11-16)20(22(26)27-3)21(28-15)23-18(25)14-24(2)17-12-8-5-9-13-17/h4,6-7,10-11,17H,5,8-9,12-14H2,1-3H3,(H,23,25)