methyl 3-[(4-cyclopentylsulfanylphenyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(4-cyclopentylsulfanylphenyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(4-cyclopentylsulfanylphenyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-(cyclopentylthio)anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(4-cyclopentylsulfanylphenyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(cyclopentylthio)phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)SC3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)SC3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O5S/c1-27-20(24)14-10-13(11-16(12-14)22(25)26)19(23)21-15-6-8-18(9-7-15)28-17-4-2-3-5-17/h6-12,17H,2-5H2,1H3,(H,21,23)