methyl 4-[[2-(cyclopentylamino)-2-oxidanylidene-ethyl]-(5-methylthiophen-2-yl)carbonyl-amino]benzoate

Systemtic Name: methyl 4-[[2-(cyclopentylamino)-2-oxidanylidene-ethyl]-(5-methylthiophen-2-yl)carbonyl-amino]benzoate Openeye Name: methyl 4-[[2-(cyclopentylamino)-2-oxo-ethyl]-(5-methylthiophene-2-carbonyl)amino]benzoate CAS Name: 4-[[2-(cyclopentylamino)-2-oxoethyl]-[(5-methyl-2-thiophenyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(cyclopentylamino)-2-oxoethyl]-(5-methylthiophene-2-carbonyl)amino]benzoate Traditional Name: 4-[[2-(cyclopentylamino)-2-keto-ethyl]-(5-methylthiophene-2-carbonyl)amino]benzoic acid methyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)N(CC(=O)NC2CCCC2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(S1)C(=O)N(CC(=O)NC2CCCC2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H24N2O4S/c1-14-7-12-18(28-14)20(25)23(13-19(24)22-16-5-3-4-6-16)17-10-8-15(9-11-17)21(26)27-2/h7-12,16H,3-6,13H2,1-2H3,(H,22,24)