methyl 4-[[3-(phenethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[3-(phenethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[3-(phenethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamoyl]benzoate CAS Name: 4-[oxo-[[3-[oxo-(phenethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(phenethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]benzoate Traditional Name: 4-[[3-(phenethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamoyl]benzoic acid methyl ester Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H26N2O4S/c1-32-26(31)19-13-11-18(12-14-19)23(29)28-25-22(20-9-5-6-10-21(20)33-25)24(30)27-16-15-17-7-3-2-4-8-17/h2-4,7-8,11-14H,5-6,9-10,15-16H2,1H3,(H,27,30)(H,28,29)