methyl 2-[[6-tert-butyl-2-(pyridin-3-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[6-tert-butyl-2-(pyridin-3-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[6-tert-butyl-2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]amino]benzoate CAS Name: 2-[[[6-tert-butyl-2-[[oxo(3-pyridinyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-tert-butyl-2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate Traditional Name: 2-[(6-tert-butyl-2-nicotinamido-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]benzoic acid methyl ester Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC=C3C(=O)OC)NC(=O)C4=CN=CC=C4

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC=C3C(=O)OC)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C27H29N3O4S/c1-27(2,3)17-11-12-19-21(14-17)35-25(30-23(31)16-8-7-13-28-15-16)22(19)24(32)29-20-10-6-5-9-18(20)26(33)34-4/h5-10,13,15,17H,11-12,14H2,1-4H3,(H,29,32)(H,30,31)