[(E)-(7,7-dimethyl-2-methylsulfanyl-6,8-dihydroquinazolin-5-ylidene)amino] 2-chloranylbenzoate

Systemtic Name: [(E)-(7,7-dimethyl-2-methylsulfanyl-6,8-dihydroquinazolin-5-ylidene)amino] 2-chloranylbenzoate Openeye Name: [(E)-(7,7-dimethyl-2-methylsulfanyl-6,8-dihydroquinazolin-5-ylidene)amino] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [(E)-[7,7-dimethyl-2-(methylthio)-6,8-dihydroquinazolin-5-ylidene]amino] ester IUPAC Name: [(E)-(7,7-dimethyl-2-methylsulfanyl-6,8-dihydroquinazolin-5-ylidene)amino] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [(E)-[7,7-dimethyl-2-(methylthio)-6,8-dihydroquinazolin-5-ylidene]amino] ester Formula: C18H18ClN3O2S MolecularWeight: 375.87242

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=NC(=NC=C2C(=NOC(=O)C3=CC=CC=C3Cl)C1)SC)C

Isomeric SMILES

CC1(CC2=NC(=NC=C2/C(=N/OC(=O)C3=CC=CC=C3Cl)/C1)SC)C

InChI

InChI=1S/C18H18ClN3O2S/c1-18(2)8-14-12(10-20-17(21-14)25-3)15(9-18)22-24-16(23)11-6-4-5-7-13(11)19/h4-7,10H,8-9H2,1-3H3/b22-15+