ethyl 2-azanyl-4-(1,3-benzodioxol-5-yl)-8-chloranyl-5-oxidanylidene-1-phenyl-4H-thiochromeno[2,3-b]pyridine-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-(1,3-benzodioxol-5-yl)-8-chloranyl-5-oxidanylidene-1-phenyl-4H-thiochromeno[2,3-b]pyridine-3-carboxylate Openeye Name: ethyl 2-amino-4-(1,3-benzodioxol-5-yl)-8-chloro-5-oxo-1-phenyl-4H-thiochromeno[2,3-b]pyridine-3-carboxylate CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-8-chloro-5-oxo-1-phenyl-4H-thiochromeno[2,3-b]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-(1,3-benzodioxol-5-yl)-8-chloro-5-oxo-1-phenyl-4H-thiochromeno[2,3-b]pyridine-3-carboxylate Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-8-chloro-5-keto-1-phenyl-4H-thiochromeno[2,3-b]pyridine-3-carboxylic acid ethyl ester Formula: C28H21ClN2O5S MolecularWeight: 532.99474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)C5=C(S2)C=C(C=C5)Cl)C6=CC=CC=C6)N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)C5=C(S2)C=C(C=C5)Cl)C6=CC=CC=C6)N

InChI

InChI=1S/C28H21ClN2O5S/c1-2-34-28(33)24-22(15-8-11-19-20(12-15)36-14-35-19)23-25(32)18-10-9-16(29)13-21(18)37-27(23)31(26(24)30)17-6-4-3-5-7-17/h3-13,22H,2,14,30H2,1H3