[(2S)-1-[(5-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-thiophen-2-ylbutanoate

Systemtic Name: [(2S)-1-[(5-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-thiophen-2-ylbutanoate Openeye Name: [(1S)-2-(5-chloro-2-methyl-anilino)-1-methyl-2-oxo-ethyl] 4-(2-thienyl)butanoate CAS Name: 4-thiophen-2-ylbutanoic acid [(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 4-thiophen-2-ylbutanoate Traditional Name: 4-(2-thienyl)butyric acid [(1S)-2-(5-chloro-2-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H20ClNO3S MolecularWeight: 365.8743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)C(C)OC(=O)CCCC2=CC=CS2

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)[C@H](C)OC(=O)CCCC2=CC=CS2

InChI

InChI=1S/C18H20ClNO3S/c1-12-8-9-14(19)11-16(12)20-18(22)13(2)23-17(21)7-3-5-15-6-4-10-24-15/h4,6,8-11,13H,3,5,7H2,1-2H3,(H,20,22)/t13-/m0/s1