ethyl 4-[[6-methyl-2-(thiophen-2-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[6-methyl-2-(thiophen-2-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[6-methyl-2-(2-thienylmethylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]amino]benzoate CAS Name: 4-[[[6-methyl-2-(thiophen-2-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-methyl-2-(thiophen-2-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate Traditional Name: 4-[[6-methyl-2-(2-thenylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]amino]benzoic acid ethyl ester Formula: C24H26N2O3S2 MolecularWeight: 454.60484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCC(C3)C)NCC4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCC(C3)C)NCC4=CC=CS4

InChI

InChI=1S/C24H26N2O3S2/c1-3-29-24(28)16-7-9-17(10-8-16)26-22(27)21-19-11-6-15(2)13-20(19)31-23(21)25-14-18-5-4-12-30-18/h4-5,7-10,12,15,25H,3,6,11,13-14H2,1-2H3,(H,26,27)