(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-acetamido-4,5-dimethyl-3-thiophenecarboxylic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-acetamido-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-acetamido-4,5-dimethyl-thiophene-3-carboxylic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C18H16ClN3O4S MolecularWeight: 405.85534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)NC(=O)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)NC(=O)C)C

InChI

InChI=1S/C18H16ClN3O4S/c1-8-9(2)27-17(20-10(3)23)15(8)18(25)26-7-14-21-13-6-11(19)4-5-12(13)16(24)22-14/h4-6H,7H2,1-3H3,(H,20,23)(H,21,22,24)