methyl 4-[(4-acetyloxyphenyl)carbonylamino]-5-(cyclohexylamino)thiophene-2-carboxylate

Systemtic Name: methyl 4-[(4-acetyloxyphenyl)carbonylamino]-5-(cyclohexylamino)thiophene-2-carboxylate Openeye Name: methyl 4-[(4-acetoxybenzoyl)amino]-5-(cyclohexylamino)thiophene-2-carboxylate CAS Name: 4-[[(4-acetyloxyphenyl)-oxomethyl]amino]-5-(cyclohexylamino)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-[(4-acetyloxybenzoyl)amino]-5-(cyclohexylamino)thiophene-2-carboxylate Traditional Name: 4-[(4-acetoxybenzoyl)amino]-5-(cyclohexylamino)thiophene-2-carboxylic acid methyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C(=O)NC2=C(SC(=C2)C(=O)OC)NC3CCCCC3

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C(=O)NC2=C(SC(=C2)C(=O)OC)NC3CCCCC3

InChI

InChI=1S/C21H24N2O5S/c1-13(24)28-16-10-8-14(9-11-16)19(25)23-17-12-18(21(26)27-2)29-20(17)22-15-6-4-3-5-7-15/h8-12,15,22H,3-7H2,1-2H3,(H,23,25)