methyl 1-[2-[[5-(1,3-benzodioxol-5-ylmethyl)-3-ethoxycarbonyl-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[[5-(1,3-benzodioxol-5-ylmethyl)-3-ethoxycarbonyl-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[[5-(1,3-benzodioxol-5-ylmethyl)-3-ethoxycarbonyl-4-methyl-2-thienyl]amino]-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[2-[[5-(1,3-benzodioxol-5-ylmethyl)-3-ethoxycarbonyl-4-methyl-2-thiophenyl]amino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[[5-(1,3-benzodioxol-5-ylmethyl)-3-ethoxycarbonyl-4-methylthiophen-2-yl]amino]-2-oxoethyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(3-carbethoxy-4-methyl-5-piperonyl-2-thienyl)amino]-2-keto-ethyl]isonipecotic acid methyl ester Formula: C25H30N2O7S MolecularWeight: 502.5799

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)CN4CCC(CC4)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)CN4CCC(CC4)C(=O)OC

InChI

InChI=1S/C25H30N2O7S/c1-4-32-25(30)22-15(2)20(12-16-5-6-18-19(11-16)34-14-33-18)35-23(22)26-21(28)13-27-9-7-17(8-10-27)24(29)31-3/h5-6,11,17H,4,7-10,12-14H2,1-3H3,(H,26,28)