4-[4-[4-[(4-methoxyphenyl)methoxy]-1-phenoxycarbothioyloxy-butyl]-2-oxidanylidene-pyridin-1-yl]-2,2-dimethyl-chromene-6-carbonitrile

Systemtic Name: 4-[4-[4-[(4-methoxyphenyl)methoxy]-1-phenoxycarbothioyloxy-butyl]-2-oxidanylidene-pyridin-1-yl]-2,2-dimethyl-chromene-6-carbonitrile Openeye Name: 4-[4-[4-[(4-methoxyphenyl)methoxy]-1-phenoxycarbothioyloxy-butyl]-2-oxo-1-pyridyl]-2,2-dimethyl-chromene-6-carbonitrile CAS Name: 4-[4-[4-[(4-methoxyphenyl)methoxy]-1-[phenoxy(sulfanylidene)methoxy]butyl]-2-oxo-1-pyridinyl]-2,2-dimethyl-1-benzopyran-6-carbonitrile IUPAC Name: 4-[4-[4-[(4-methoxyphenyl)methoxy]-1-phenoxycarbothioyloxybutyl]-2-oxopyridin-1-yl]-2,2-dimethylchromene-6-carbonitrile Traditional Name: 4-[2-keto-4-(4-p-anisyloxy-1-phenoxycarbothioyloxy-butyl)-1-pyridyl]-2,2-dimethyl-chromene-6-carbonitrile Formula: C36H34N2O6S MolecularWeight: 622.72996

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=C(O1)C=CC(=C2)C#N)N3C=CC(=CC3=O)C(CCCOCC4=CC=C(C=C4)OC)OC(=S)OC5=CC=CC=C5)C

Isomeric SMILES

CC1(C=C(C2=C(O1)C=CC(=C2)C#N)N3C=CC(=CC3=O)C(CCCOCC4=CC=C(C=C4)OC)OC(=S)OC5=CC=CC=C5)C

InChI

InChI=1S/C36H34N2O6S/c1-36(2)22-31(30-20-26(23-37)13-16-33(30)44-36)38-18-17-27(21-34(38)39)32(43-35(45)42-29-8-5-4-6-9-29)10-7-19-41-24-25-11-14-28(40-3)15-12-25/h4-6,8-9,11-18,20-22,32H,7,10,19,24H2,1-3H3