dimethyl 2-azanyl-6-(benzotriazol-1-yl)-9-ethoxy-7-(4-methoxyphenyl)thiepino[2,3-c]pyridine-3,4-dicarboxylate

Systemtic Name: dimethyl 2-azanyl-6-(benzotriazol-1-yl)-9-ethoxy-7-(4-methoxyphenyl)thiepino[2,3-c]pyridine-3,4-dicarboxylate Openeye Name: dimethyl 2-amino-6-(benzotriazol-1-yl)-9-ethoxy-7-(4-methoxyphenyl)thiepino[2,3-c]pyridine-3,4-dicarboxylate CAS Name: 2-amino-6-(1-benzotriazolyl)-9-ethoxy-7-(4-methoxyphenyl)thiepino[2,3-c]pyridine-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-amino-6-(benzotriazol-1-yl)-9-ethoxy-7-(4-methoxyphenyl)thiepino[2,3-c]pyridine-3,4-dicarboxylate Traditional Name: 2-amino-6-(benzotriazol-1-yl)-9-ethoxy-7-(4-methoxyphenyl)thiepino[2,3-c]pyridine-3,4-dicarboxylic acid dimethyl ester Formula: C28H25N5O6S MolecularWeight: 559.593

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=C(C(=N1)C3=CC=C(C=C3)OC)N4C5=CC=CC=C5N=N4)C=C(C(=C(S2)N)C(=O)OC)C(=O)OC

Isomeric SMILES

CCOC1=C2C(=C(C(=N1)C3=CC=C(C=C3)OC)N4C5=CC=CC=C5N=N4)C=C(C(=C(S2)N)C(=O)OC)C(=O)OC

InChI

InChI=1S/C28H25N5O6S/c1-5-39-26-24-18(14-17(27(34)37-3)21(25(29)40-24)28(35)38-4)23(33-20-9-7-6-8-19(20)31-32-33)22(30-26)15-10-12-16(36-2)13-11-15/h6-14H,5,29H2,1-4H3