ethyl 2-ethoxycarbonyloxy-3-[(Z)-1-ethoxycarbonyloxy-3-methylsulfanyl-prop-1-enyl]indole-1-carboxylate

Systemtic Name: ethyl 2-ethoxycarbonyloxy-3-[(Z)-1-ethoxycarbonyloxy-3-methylsulfanyl-prop-1-enyl]indole-1-carboxylate Openeye Name: ethyl 2-ethoxycarbonyloxy-3-[(Z)-1-ethoxycarbonyloxy-3-methylsulfanyl-prop-1-enyl]indole-1-carboxylate CAS Name: 2-ethoxycarbonyloxy-3-[(Z)-1-ethoxycarbonyloxy-3-(methylthio)prop-1-enyl]-1-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-ethoxycarbonyloxy-3-[(Z)-1-ethoxycarbonyloxy-3-methylsulfanylprop-1-enyl]indole-1-carboxylate Traditional Name: 2-carbethoxyoxy-3-[(Z)-1-carbethoxyoxy-3-(methylthio)prop-1-enyl]indole-1-carboxylic acid ethyl ester Formula: C21H25NO8S MolecularWeight: 451.4901

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2=CC=CC=C2C(=C1OC(=O)OCC)C(=CCSC)OC(=O)OCC

Isomeric SMILES

CCOC(=O)N1C2=CC=CC=C2C(=C1OC(=O)OCC)/C(=C/CSC)/OC(=O)OCC

InChI

InChI=1S/C21H25NO8S/c1-5-26-19(23)22-15-11-9-8-10-14(15)17(18(22)30-21(25)28-7-3)16(12-13-31-4)29-20(24)27-6-2/h8-12H,5-7,13H2,1-4H3/b16-12-