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

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4H-thieno[3,2-c]chromene-2-carboxylate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate CAS Name: 4H-thieno[3,2-c][1]benzopyran-2-carboxylic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 4H-thieno[3,2-c]chromene-2-carboxylate Traditional Name: 4H-thieno[3,2-c]chromene-2-carboxylic acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C22H19NO4S MolecularWeight: 393.45556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC3=C(S2)C4=CC=CC=C4OC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)C2=CC3=C(S2)C4=CC=CC=C4OC3

InChI

InChI=1S/C22H19NO4S/c1-13-7-9-16(10-8-13)23-21(24)14(2)27-22(25)19-11-15-12-26-18-6-4-3-5-17(18)20(15)28-19/h3-11,14H,12H2,1-2H3,(H,23,24)/t14-/m0/s1