methyl (Z)-3-(4-nitrophenyl)-2-(piperidin-1-ylcarbothioylsulfanylmethyl)prop-2-enoate

Systemtic Name: methyl (Z)-3-(4-nitrophenyl)-2-(piperidin-1-ylcarbothioylsulfanylmethyl)prop-2-enoate Openeye Name: methyl (Z)-3-(4-nitrophenyl)-2-(piperidine-1-carbothioylsulfanylmethyl)prop-2-enoate CAS Name: (Z)-3-(4-nitrophenyl)-2-[[[1-piperidinyl(sulfanylidene)methyl]thio]methyl]-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-3-(4-nitrophenyl)-2-(piperidine-1-carbothioylsulfanylmethyl)prop-2-enoate Traditional Name: (Z)-3-(4-nitrophenyl)-2-[(piperidine-1-carbothioylthio)methyl]acrylic acid methyl ester Formula: C17H20N2O4S2 MolecularWeight: 380.4817

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC=C(C=C1)[N+](=O)[O-])CSC(=S)N2CCCCC2

Isomeric SMILES

COC(=O)/C(=C/C1=CC=C(C=C1)[N+](=O)[O-])/CSC(=S)N2CCCCC2

InChI

InChI=1S/C17H20N2O4S2/c1-23-16(20)14(11-13-5-7-15(8-6-13)19(21)22)12-25-17(24)18-9-3-2-4-10-18/h5-8,11H,2-4,9-10,12H2,1H3/b14-11+