ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-(2-chloranylethanoylamino)-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-(2-chloranylethanoylamino)-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chloroacetyl)amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chloro-1-oxoethyl)amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chloroacetyl)amino]-4-methylthiophene-3-carboxylate Traditional Name: 2-[(2-chloroacetyl)amino]-4-methyl-5-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H18ClNO5S MolecularWeight: 395.85722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClNO5S/c1-3-23-18(22)16-10(2)14(26-17(16)20-15(21)8-19)7-11-4-5-12-13(6-11)25-9-24-12/h4-6H,3,7-9H2,1-2H3,(H,20,21)