4-[[6-tert-butyl-3-(naphthalen-1-ylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[6-tert-butyl-3-(naphthalen-1-ylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[6-tert-butyl-3-(1-naphthylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[6-tert-butyl-3-[(1-naphthalenylamino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[6-tert-butyl-3-(naphthalen-1-ylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[6-tert-butyl-3-(1-naphthylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-keto-butyric acid Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC4=CC=CC=C43)NC(=O)CCC(=O)O

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC4=CC=CC=C43)NC(=O)CCC(=O)O

InChI

InChI=1S/C27H30N2O4S/c1-27(2,3)17-11-12-19-21(15-17)34-26(29-22(30)13-14-23(31)32)24(19)25(33)28-20-10-6-8-16-7-4-5-9-18(16)20/h4-10,17H,11-15H2,1-3H3,(H,28,33)(H,29,30)(H,31,32)