O2-tert-butyl O4-ethyl 5-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-tert-butyl O4-ethyl 5-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 5-[(3-chlorobenzothiophene-2-carbonyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester IUPAC Name: 2-O-tert-butyl 4-O-ethyl 5-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(3-chlorobenzothiophene-2-carbonyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester Formula: C22H22ClNO5S2 MolecularWeight: 479.99678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C22H22ClNO5S2/c1-6-28-20(26)14-11(2)16(21(27)29-22(3,4)5)31-19(14)24-18(25)17-15(23)12-9-7-8-10-13(12)30-17/h7-10H,6H2,1-5H3,(H,24,25)