methyl 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]thiophene-2-carboxylate Openeye Name: methyl 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]thiophene-2-carboxylate CAS Name: 3-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C16H13NO5S MolecularWeight: 331.34312

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H13NO5S/c1-20-16(19)15-11(6-7-23-15)17-14(18)5-3-10-2-4-12-13(8-10)22-9-21-12/h2-8H,9H2,1H3,(H,17,18)/b5-3+