ethyl 4-aminocarbonyl-5-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-aminocarbonyl-5-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-carbamoyl-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-4-carbamoyl-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-carbamoyl-3-methylthiophene-2-carboxylate Traditional Name: 5-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]-4-carbamoyl-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C=CC2=CC3=C(C=C2)OCO3)C(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3)C(=O)N)C

InChI

InChI=1S/C19H18N2O6S/c1-3-25-19(24)16-10(2)15(17(20)23)18(28-16)21-14(22)7-5-11-4-6-12-13(8-11)27-9-26-12/h4-8H,3,9H2,1-2H3,(H2,20,23)(H,21,22)/b7-5+