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

Systemtic Name: 4-[[6-tert-butyl-3-[(2-ethylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[6-tert-butyl-3-[(2-ethylphenyl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[6-tert-butyl-3-[(2-ethylanilino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[6-tert-butyl-3-[(2-ethylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[6-tert-butyl-3-[(2-ethylphenyl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-keto-butyric acid Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCC(C3)C(C)(C)C)NC(=O)CCC(=O)O

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCC(C3)C(C)(C)C)NC(=O)CCC(=O)O

InChI

InChI=1S/C25H32N2O4S/c1-5-15-8-6-7-9-18(15)26-23(31)22-17-11-10-16(25(2,3)4)14-19(17)32-24(22)27-20(28)12-13-21(29)30/h6-9,16H,5,10-14H2,1-4H3,(H,26,31)(H,27,28)(H,29,30)