ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chlorobenzothiophene-2-carbonyl)amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-4-methylthiophene-3-carboxylate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]-4-methyl-5-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H20ClNO5S2 MolecularWeight: 514.013

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C25H20ClNO5S2/c1-3-30-25(29)20-13(2)19(11-14-8-9-16-17(10-14)32-12-31-16)34-24(20)27-23(28)22-21(26)15-6-4-5-7-18(15)33-22/h4-10H,3,11-12H2,1-2H3,(H,27,28)