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

Systemtic Name: ethyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(3-chlorobenzothiophene-2-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H22ClNO3S2 MolecularWeight: 447.99798

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H22ClNO3S2/c1-3-12-9-10-13-16(11-12)29-21(17(13)22(26)27-4-2)24-20(25)19-18(23)14-7-5-6-8-15(14)28-19/h5-8,12H,3-4,9-11H2,1-2H3,(H,24,25)