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

Systemtic Name: propan-2-yl 4-aminocarbonyl-5-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-methyl-thiophene-2-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C20H20N2O6S MolecularWeight: 416.4476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)C=CC2=CC3=C(C=C2)OCO3)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3)C(=O)OC(C)C

InChI

InChI=1S/C20H20N2O6S/c1-10(2)28-20(25)17-11(3)16(18(21)24)19(29-17)22-15(23)7-5-12-4-6-13-14(8-12)27-9-26-13/h4-8,10H,9H2,1-3H3,(H2,21,24)(H,22,23)/b7-5+