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

Systemtic Name: 4-[[6-tert-butyl-3-(phenylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[6-tert-butyl-3-(phenylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[3-[anilino(oxo)methyl]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[6-tert-butyl-3-(phenylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[6-tert-butyl-3-(phenylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-keto-butyric acid Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC=C3)NC(=O)CCC(=O)O

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC=C3)NC(=O)CCC(=O)O

InChI

InChI=1S/C23H28N2O4S/c1-23(2,3)14-9-10-16-17(13-14)30-22(25-18(26)11-12-19(27)28)20(16)21(29)24-15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3,(H,24,29)(H,25,26)(H,27,28)