[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 3-azanyl-5-methyl-6-phenyl-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 3-azanyl-5-methyl-6-phenyl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 3-amino-5-methyl-6-phenyl-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-amino-5-methyl-6-phenyl-2-thieno[2,3-b]pyridinecarboxylic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 3-amino-5-methyl-6-phenylthieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-amino-5-methyl-6-phenyl-thieno[2,3-b]pyridine-2-carboxylic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C24H18N2O5S MolecularWeight: 446.47512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C(=C1)C(=C(S2)C(=O)OCC(=O)C3=CC4=C(C=C3)OCO4)N)C5=CC=CC=C5

Isomeric SMILES

CC1=C(N=C2C(=C1)C(=C(S2)C(=O)OCC(=O)C3=CC4=C(C=C3)OCO4)N)C5=CC=CC=C5

InChI

InChI=1S/C24H18N2O5S/c1-13-9-16-20(25)22(32-23(16)26-21(13)14-5-3-2-4-6-14)24(28)29-11-17(27)15-7-8-18-19(10-15)31-12-30-18/h2-10H,11-12,25H2,1H3