methyl 3-azanyl-5-(3-fluorophenyl)sulfanyl-7,8-dimethyl-6-oxidanylidene-2H-cinnoline-4-carboxylate

Systemtic Name: methyl 3-azanyl-5-(3-fluorophenyl)sulfanyl-7,8-dimethyl-6-oxidanylidene-2H-cinnoline-4-carboxylate Openeye Name: methyl 3-amino-5-(3-fluorophenyl)sulfanyl-7,8-dimethyl-6-oxo-2H-cinnoline-4-carboxylate CAS Name: 3-amino-5-[(3-fluorophenyl)thio]-7,8-dimethyl-6-oxo-2H-cinnoline-4-carboxylic acid methyl ester IUPAC Name: methyl 3-amino-5-(3-fluorophenyl)sulfanyl-7,8-dimethyl-6-oxo-2H-cinnoline-4-carboxylate Traditional Name: 3-amino-5-[(3-fluorophenyl)thio]-6-keto-7,8-dimethyl-2H-cinnoline-4-carboxylic acid methyl ester Formula: C18H16FN3O3S MolecularWeight: 373.401343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C2C1=NNC(=C2C(=O)OC)N)SC3=CC=CC(=C3)F)C

Isomeric SMILES

CC1=C(C(=O)C(=C2C1=NNC(=C2C(=O)OC)N)SC3=CC=CC(=C3)F)C

InChI

InChI=1S/C18H16FN3O3S/c1-8-9(2)15(23)16(26-11-6-4-5-10(19)7-11)12-13(18(24)25-3)17(20)22-21-14(8)12/h4-7,22H,20H2,1-3H3