(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-phenylsulfanylpropanoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-phenylsulfanylpropanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C20H17ClO4S MolecularWeight: 388.86458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCSC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCSC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H17ClO4S/c1-13-9-18-16(11-17(13)21)14(10-20(23)25-18)12-24-19(22)7-8-26-15-5-3-2-4-6-15/h2-6,9-11H,7-8,12H2,1H3