2-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-ethoxyphenyl)quinazolin-4-one

Systemtic Name: 2-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-ethoxyphenyl)quinazolin-4-one Openeye Name: 2-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-3-(4-ethoxyphenyl)quinazolin-4-one CAS Name: 2-[[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl]thio]-3-(4-ethoxyphenyl)-4-quinazolinone IUPAC Name: 2-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)quinazolin-4-one Traditional Name: 2-[[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-3-p-phenetyl-quinazolin-4-one Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=C(N(C(=C4)C)CC=C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=C(N(C(=C4)C)CC=C)C

InChI

InChI=1S/C27H27N3O3S/c1-5-15-29-18(3)16-23(19(29)4)25(31)17-34-27-28-24-10-8-7-9-22(24)26(32)30(27)20-11-13-21(14-12-20)33-6-2/h5,7-14,16H,1,6,15,17H2,2-4H3