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

Systemtic Name: methyl 3-azanyl-5-(3,4-dimethylphenyl)sulfanyl-7,8-dimethyl-6-oxidanylidene-2H-cinnoline-4-carboxylate Openeye Name: methyl 3-amino-5-(3,4-dimethylphenyl)sulfanyl-7,8-dimethyl-6-oxo-2H-cinnoline-4-carboxylate CAS Name: 3-amino-5-[(3,4-dimethylphenyl)thio]-7,8-dimethyl-6-oxo-2H-cinnoline-4-carboxylic acid methyl ester IUPAC Name: methyl 3-amino-5-(3,4-dimethylphenyl)sulfanyl-7,8-dimethyl-6-oxo-2H-cinnoline-4-carboxylate Traditional Name: 3-amino-5-[(3,4-dimethylphenyl)thio]-6-keto-7,8-dimethyl-2H-cinnoline-4-carboxylic acid methyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C3C(=C(NN=C3C(=C(C2=O)C)C)N)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C3C(=C(NN=C3C(=C(C2=O)C)C)N)C(=O)OC)C

InChI

InChI=1S/C20H21N3O3S/c1-9-6-7-13(8-10(9)2)27-18-14-15(20(25)26-5)19(21)23-22-16(14)11(3)12(4)17(18)24/h6-8,23H,21H2,1-5H3