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

Systemtic Name: S-[(2R,3R)-2-(4-nitrophenyl)-4-oxidanylidene-2,3-dihydrochromen-3-yl] ethanethioate Openeye Name: S-[(2R,3R)-2-(4-nitrophenyl)-4-oxo-chroman-3-yl] ethanethioate CAS Name: ethanethioic acid S-[(2R,3R)-2-(4-nitrophenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: S-[(2R,3R)-2-(4-nitrophenyl)-4-oxo-2,3-dihydrochromen-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[(2R,3R)-4-keto-2-(4-nitrophenyl)chroman-3-yl] ester Formula: C17H13NO5S MolecularWeight: 343.35382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1C(OC2=CC=CC=C2C1=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)S[C@@H]1[C@H](OC2=CC=CC=C2C1=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13NO5S/c1-10(19)24-17-15(20)13-4-2-3-5-14(13)23-16(17)11-6-8-12(9-7-11)18(21)22/h2-9,16-17H,1H3/t16-,17+/m1/s1