2-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-3-cyclopentyl-quinazolin-4-one

Systemtic Name: 2-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-3-cyclopentyl-quinazolin-4-one Openeye Name: 2-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-3-cyclopentyl-quinazolin-4-one CAS Name: 2-[[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-3-cyclopentyl-4-quinazolinone IUPAC Name: 2-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-3-cyclopentylquinazolin-4-one Traditional Name: 2-[[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]thio]-3-cyclopentyl-quinazolin-4-one Formula: C28H27N3O4S MolecularWeight: 501.59668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)CSC4=NC5=CC=CC=C5C(=O)N4C6CCCC6

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)CSC4=NC5=CC=CC=C5C(=O)N4C6CCCC6

InChI

InChI=1S/C28H27N3O4S/c1-17-13-22(18(2)30(17)20-11-12-25-26(14-20)35-16-34-25)24(32)15-36-28-29-23-10-6-5-9-21(23)27(33)31(28)19-7-3-4-8-19/h5-6,9-14,19H,3-4,7-8,15-16H2,1-2H3