methyl 3-(2-cyclopentylsulfanylethanoylamino)-4-methyl-benzoate

Systemtic Name: methyl 3-(2-cyclopentylsulfanylethanoylamino)-4-methyl-benzoate Openeye Name: methyl 3-[(2-cyclopentylsulfanylacetyl)amino]-4-methyl-benzoate CAS Name: 3-[[2-(cyclopentylthio)-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[(2-cyclopentylsulfanylacetyl)amino]-4-methylbenzoate Traditional Name: 3-[[2-(cyclopentylthio)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2CCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2CCCC2

InChI

InChI=1S/C16H21NO3S/c1-11-7-8-12(16(19)20-2)9-14(11)17-15(18)10-21-13-5-3-4-6-13/h7-9,13H,3-6,10H2,1-2H3,(H,17,18)