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

Systemtic Name: [2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 1-methylpyrazole-3-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] 1-methylpyrazole-3-carboxylate CAS Name: 1-methyl-3-pyrazolecarboxylic acid [2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 1-methylpyrazole-3-carboxylate Traditional Name: 1-methylpyrazole-3-carboxylic acid [2-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC(=O)C3=NN(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC(=O)C3=NN(C=C3)C

InChI

InChI=1S/C18H21N3O5S/c1-3-25-18(24)15-11-6-4-5-7-13(11)27-16(15)19-14(22)10-26-17(23)12-8-9-21(2)20-12/h8-9H,3-7,10H2,1-2H3,(H,19,22)