ethyl 6-tert-butyl-2-[(3-chloranyl-5-methoxy-1-benzothiophen-2-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-tert-butyl-2-[(3-chloranyl-5-methoxy-1-benzothiophen-2-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-tert-butyl-2-[(3-chloro-5-methoxy-benzothiophene-2-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[(3-chloro-5-methoxy-1-benzothiophen-2-yl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-2-[(3-chloro-5-methoxy-1-benzothiophene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[(3-chloro-5-methoxy-benzothiophene-2-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H28ClNO4S2 MolecularWeight: 506.07712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C3=C(C4=C(S3)C=CC(=C4)OC)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C3=C(C4=C(S3)C=CC(=C4)OC)Cl

InChI

InChI=1S/C25H28ClNO4S2/c1-6-31-24(29)19-15-9-7-13(25(2,3)4)11-18(15)33-23(19)27-22(28)21-20(26)16-12-14(30-5)8-10-17(16)32-21/h8,10,12-13H,6-7,9,11H2,1-5H3,(H,27,28)