ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(1,3-benzoxazol-2-ylthio)acetyl]amino]-5-methyl-4-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H22N2O6S2 MolecularWeight: 510.58198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)NC(=O)CSC4=NC5=CC=CC=C5O4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)NC(=O)CSC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C25H22N2O6S2/c1-3-30-24(29)22-16(10-15-8-9-19-20(11-15)32-13-31-19)14(2)35-23(22)27-21(28)12-34-25-26-17-6-4-5-7-18(17)33-25/h4-9,11H,3,10,12-13H2,1-2H3,(H,27,28)