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

Systemtic Name: ethyl 5-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-methyl-1,2-thiazole-4-carboxylate Openeye Name: ethyl 5-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-methyl-isothiazole-4-carboxylate CAS Name: 5-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-3-methyl-4-isothiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-methyl-1,2-thiazole-4-carboxylate Traditional Name: 5-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]-3-methyl-isothiazole-4-carboxylic acid ethyl ester Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SN=C1C)NC(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1=C(SN=C1C)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H16N2O5S/c1-3-22-17(21)15-10(2)19-25-16(15)18-14(20)7-5-11-4-6-12-13(8-11)24-9-23-12/h4-8H,3,9H2,1-2H3,(H,18,20)/b7-5+