6-chloranyl-7-methyl-4-[(2-phenylsulfanylethylamino)methyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-methyl-4-[(2-phenylsulfanylethylamino)methyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[(2-phenylsulfanylethylamino)methyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[2-(phenylthio)ethylamino]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[(2-phenylsulfanylethylamino)methyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[2-(phenylthio)ethylamino]methyl]coumarin Formula: C19H18ClNO2S MolecularWeight: 359.86972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CNCCSC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CNCCSC3=CC=CC=C3)Cl

InChI

InChI=1S/C19H18ClNO2S/c1-13-9-18-16(11-17(13)20)14(10-19(22)23-18)12-21-7-8-24-15-5-3-2-4-6-15/h2-6,9-11,21H,7-8,12H2,1H3