methyl 2-[2-[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-[[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-2-pyrrolyl)amino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[2-[[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]acetic acid methyl ester Formula: C25H27N5O4S MolecularWeight: 493.57798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC)C4CCCC4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC)C4CCCC4)C

InChI

InChI=1S/C25H27N5O4S/c1-15-16(2)30(17-8-4-5-9-17)23(19(15)12-26)28-21(31)14-35-25-27-20-11-7-6-10-18(20)24(33)29(25)13-22(32)34-3/h6-7,10-11,17H,4-5,8-9,13-14H2,1-3H3,(H,28,31)