[2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 6-oxidanylidene-1H-pyridazine-3-carboxylate

Systemtic Name: [2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 6-oxidanylidene-1H-pyridazine-3-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] 6-oxo-1H-pyridazine-3-carboxylate CAS Name: 6-oxo-1H-pyridazine-3-carboxylic acid [2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 6-oxo-1H-pyridazine-3-carboxylate Traditional Name: 6-keto-1H-pyridazine-3-carboxylic acid [2-[(3-carbethoxy-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)COC(=O)C3=NNC(=O)C=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)COC(=O)C3=NNC(=O)C=C3

InChI

InChI=1S/C19H21N3O6S/c1-3-27-19(26)16-11-5-4-10(2)8-13(11)29-17(16)20-15(24)9-28-18(25)12-6-7-14(23)22-21-12/h6-7,10H,3-5,8-9H2,1-2H3,(H,20,24)(H,22,23)