ethyl 3-(1,3-benzothiazol-2-yl)-2-[(5-nitrothiophen-2-yl)carbonylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-yl)-2-[(5-nitrothiophen-2-yl)carbonylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-2-[(5-nitrothiophene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-2-[[(5-nitro-2-thiophenyl)-oxomethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-yl)-2-[(5-nitrothiophene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)-2-[(5-nitrothiophene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester Formula: C22H18N4O5S3 MolecularWeight: 514.59712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)C5=CC=C(S5)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)C5=CC=C(S5)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O5S3/c1-2-31-22(28)25-10-9-12-16(11-25)34-21(24-19(27)15-7-8-17(32-15)26(29)30)18(12)20-23-13-5-3-4-6-14(13)33-20/h3-8H,2,9-11H2,1H3,(H,24,27)