S-[(2R,3R)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydrochromen-3-yl] ethanethioate

Systemtic Name: S-[(2R,3R)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydrochromen-3-yl] ethanethioate Openeye Name: S-[(2R,3R)-2-(4-methoxyphenyl)-4-oxo-chroman-3-yl] ethanethioate CAS Name: ethanethioic acid S-[(2R,3R)-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: S-[(2R,3R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[(2R,3R)-4-keto-2-(4-methoxyphenyl)chroman-3-yl] ester Formula: C18H16O4S MolecularWeight: 328.38224

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1C(OC2=CC=CC=C2C1=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)S[C@@H]1[C@H](OC2=CC=CC=C2C1=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H16O4S/c1-11(19)23-18-16(20)14-5-3-4-6-15(14)22-17(18)12-7-9-13(21-2)10-8-12/h3-10,17-18H,1-2H3/t17-,18+/m1/s1