methyl 1-azanyl-4-(2-ethylphenyl)-5-oxidanylidene-thieno[2,3-c]isoquinoline-2-carboxylate

Systemtic Name: methyl 1-azanyl-4-(2-ethylphenyl)-5-oxidanylidene-thieno[2,3-c]isoquinoline-2-carboxylate Openeye Name: methyl 1-amino-4-(2-ethylphenyl)-5-oxo-thieno[2,3-c]isoquinoline-2-carboxylate CAS Name: 1-amino-4-(2-ethylphenyl)-5-oxo-2-thieno[2,3-c]isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-amino-4-(2-ethylphenyl)-5-oxothieno[2,3-c]isoquinoline-2-carboxylate Traditional Name: 1-amino-4-(2-ethylphenyl)-5-keto-thien[2,3-c]isoquinoline-2-carboxylic acid methyl ester Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C3=C(C4=CC=CC=C4C2=O)C(=C(S3)C(=O)OC)N

Isomeric SMILES

CCC1=CC=CC=C1N2C3=C(C4=CC=CC=C4C2=O)C(=C(S3)C(=O)OC)N

InChI

InChI=1S/C21H18N2O3S/c1-3-12-8-4-7-11-15(12)23-19(24)14-10-6-5-9-13(14)16-17(22)18(21(25)26-2)27-20(16)23/h4-11H,3,22H2,1-2H3