methyl 2-[2-[(2-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-(2-oxidanylpropyl)quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-[(2-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-(2-oxidanylpropyl)quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(2-chloro-4-methyl-anilino)-2-oxo-ethyl]sulfanyl-3-(2-hydroxypropyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]thio]-3-(2-hydroxypropyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(2-chloro-4-methylanilino)-2-oxoethyl]sulfanyl-3-(2-hydroxypropyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[2-(2-chloro-4-methyl-anilino)-2-keto-ethyl]thio]-3-(2-hydroxypropyl)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C22H22ClN3O5S MolecularWeight: 475.94518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC(C)O)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC(C)O)Cl

InChI

InChI=1S/C22H22ClN3O5S/c1-12-4-7-17(16(23)8-12)24-19(28)11-32-22-25-18-9-14(21(30)31-3)5-6-15(18)20(29)26(22)10-13(2)27/h4-9,13,27H,10-11H2,1-3H3,(H,24,28)