dimethyl 5-azanyl-3-[[(E)-3-phenylsulfanylprop-2-enoyl]oxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[[(E)-3-phenylsulfanylprop-2-enoyl]oxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[(E)-3-phenylsulfanylprop-2-enoyl]oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(E)-1-oxo-3-(phenylthio)prop-2-enoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[(E)-3-phenylsulfanylprop-2-enoyl]oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(E)-3-(phenylthio)acryloyl]oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H17NO6S2 MolecularWeight: 407.46068

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)C=CSC2=CC=CC=C2)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)/C=C/SC2=CC=CC=C2)C(=O)OC)N

InChI

InChI=1S/C18H17NO6S2/c1-23-17(21)14-12(15(18(22)24-2)27-16(14)19)10-25-13(20)8-9-26-11-6-4-3-5-7-11/h3-9H,10,19H2,1-2H3/b9-8+