dimethyl 5-azanyl-3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]oxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]oxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C19H17NO8S MolecularWeight: 419.40518

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)C=CC2=CC3=C(C=C2)OCO3)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)/C=C/C2=CC3=C(C=C2)OCO3)C(=O)OC)N

InChI

InChI=1S/C19H17NO8S/c1-24-18(22)15-11(16(19(23)25-2)29-17(15)20)8-26-14(21)6-4-10-3-5-12-13(7-10)28-9-27-12/h3-7H,8-9,20H2,1-2H3/b6-4+