(3S)-6-chloranyl-N-methyl-N-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-2H-chromene-3-carboxamide

Systemtic Name: (3S)-6-chloranyl-N-methyl-N-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-2H-chromene-3-carboxamide Openeye Name: (3S)-6-chloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]chromane-3-carboxamide CAS Name: (3S)-6-chloro-N-methyl-N-[2-[2-(methylthio)anilino]-2-oxoethyl]-3,4-dihydro-2H-1-benzopyran-3-carboxamide IUPAC Name: (3S)-6-chloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3,4-dihydro-2H-chromene-3-carboxamide Traditional Name: (3S)-6-chloro-N-[2-keto-2-[2-(methylthio)anilino]ethyl]-N-methyl-chroman-3-carboxamide Formula: C20H21ClN2O3S MolecularWeight: 404.91034

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1SC)C(=O)C2CC3=C(C=CC(=C3)Cl)OC2

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1SC)C(=O)[C@H]2CC3=C(C=CC(=C3)Cl)OC2

InChI

InChI=1S/C20H21ClN2O3S/c1-23(11-19(24)22-16-5-3-4-6-18(16)27-2)20(25)14-9-13-10-15(21)7-8-17(13)26-12-14/h3-8,10,14H,9,11-12H2,1-2H3,(H,22,24)/t14-/m0/s1