[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 2H-chromene-3-carboxylate CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate Traditional Name: 2H-chromene-3-carboxylic acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C20H19NO4 MolecularWeight: 337.36916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC3=CC=CC=C3OC2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)C2=CC3=CC=CC=C3OC2

InChI

InChI=1S/C20H19NO4/c1-13-7-9-17(10-8-13)21-19(22)14(2)25-20(23)16-11-15-5-3-4-6-18(15)24-12-16/h3-11,14H,12H2,1-2H3,(H,21,22)/t14-/m0/s1