ethyl 5-[[3-(2-methoxyethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]-1-methyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[[3-(2-methoxyethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]-1-methyl-pyrazole-3-carboxylate Openeye Name: ethyl 5-[[3-(2-methoxyethoxycarbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamoyl]-1-methyl-pyrazole-3-carboxylate CAS Name: 5-[[[3-[2-methoxyethoxy(oxo)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-oxomethyl]-1-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[3-(2-methoxyethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylate Traditional Name: 5-[[3-(2-methoxyethoxycarbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamoyl]-1-methyl-pyrazole-3-carboxylic acid ethyl ester Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCCOC)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCCOC)C

InChI

InChI=1S/C20H25N3O6S/c1-4-28-19(25)13-11-14(23(2)22-13)17(24)21-18-16(20(26)29-10-9-27-3)12-7-5-6-8-15(12)30-18/h11H,4-10H2,1-3H3,(H,21,24)