methyl 3-[4-[2-(1,1-diphenylethylsulfanyl)ethyl]-3-oxidanylidene-1,4-benzoxazin-8-yl]propanoate

Systemtic Name: methyl 3-[4-[2-(1,1-diphenylethylsulfanyl)ethyl]-3-oxidanylidene-1,4-benzoxazin-8-yl]propanoate Openeye Name: methyl 3-[4-[2-(1,1-diphenylethylsulfanyl)ethyl]-3-oxo-1,4-benzoxazin-8-yl]propanoate CAS Name: 3-[4-[2-(1,1-diphenylethylthio)ethyl]-3-oxo-1,4-benzoxazin-8-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[2-(1,1-diphenylethylsulfanyl)ethyl]-3-oxo-1,4-benzoxazin-8-yl]propanoate Traditional Name: 3-[4-[2-(1,1-diphenylethylthio)ethyl]-3-keto-1,4-benzoxazin-8-yl]propionic acid methyl ester Formula: C28H29NO4S MolecularWeight: 475.59916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C2=CC=CC=C2)SCCN3C(=O)COC4=C(C=CC=C43)CCC(=O)OC

Isomeric SMILES

CC(C1=CC=CC=C1)(C2=CC=CC=C2)SCCN3C(=O)COC4=C(C=CC=C43)CCC(=O)OC

InChI

InChI=1S/C28H29NO4S/c1-28(22-11-5-3-6-12-22,23-13-7-4-8-14-23)34-19-18-29-24-15-9-10-21(16-17-26(31)32-2)27(24)33-20-25(29)30/h3-15H,16-20H2,1-2H3