methyl 3-azanyl-7,8-dimethyl-6-oxidanylidene-5-phenylsulfanyl-2H-cinnoline-4-carboxylate

Systemtic Name: methyl 3-azanyl-7,8-dimethyl-6-oxidanylidene-5-phenylsulfanyl-2H-cinnoline-4-carboxylate Openeye Name: methyl 3-amino-7,8-dimethyl-6-oxo-5-phenylsulfanyl-2H-cinnoline-4-carboxylate CAS Name: 3-amino-7,8-dimethyl-6-oxo-5-(phenylthio)-2H-cinnoline-4-carboxylic acid methyl ester IUPAC Name: methyl 3-amino-7,8-dimethyl-6-oxo-5-phenylsulfanyl-2H-cinnoline-4-carboxylate Traditional Name: 3-amino-6-keto-7,8-dimethyl-5-(phenylthio)-2H-cinnoline-4-carboxylic acid methyl ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S/c1-9-10(2)15(22)16(25-11-7-5-4-6-8-11)12-13(18(23)24-3)17(19)21-20-14(9)12/h4-8,21H,19H2,1-3H3