[2-[[4-(1,3-benzodioxol-5-ylmethyl)-3-methoxycarbonyl-5-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 3-chloranyl-6-methoxy-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[[4-(1,3-benzodioxol-5-ylmethyl)-3-methoxycarbonyl-5-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 3-chloranyl-6-methoxy-1-benzothiophene-2-carboxylate Openeye Name: [2-[[4-(1,3-benzodioxol-5-ylmethyl)-3-methoxycarbonyl-5-methyl-2-thienyl]amino]-2-oxo-ethyl] 3-chloro-6-methoxy-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-methoxy-1-benzothiophene-2-carboxylic acid [2-[[4-(1,3-benzodioxol-5-ylmethyl)-3-methoxycarbonyl-5-methyl-2-thiophenyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(1,3-benzodioxol-5-ylmethyl)-3-methoxycarbonyl-5-methylthiophen-2-yl]amino]-2-oxoethyl] 3-chloro-6-methoxy-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-methoxy-benzothiophene-2-carboxylic acid [2-[(3-carbomethoxy-5-methyl-4-piperonyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C27H22ClNO8S2 MolecularWeight: 588.04848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)OC)Cl)C(=O)OC)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)OC)Cl)C(=O)OC)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H22ClNO8S2/c1-13-17(8-14-4-7-18-19(9-14)37-12-36-18)22(26(31)34-3)25(38-13)29-21(30)11-35-27(32)24-23(28)16-6-5-15(33-2)10-20(16)39-24/h4-7,9-10H,8,11-12H2,1-3H3,(H,29,30)