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

Systemtic Name: 5-[[(6S)-6-tert-butyl-3-(phenylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[[(6S)-6-tert-butyl-3-(phenylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-5-oxo-pentanoate CAS Name: 5-[[(6S)-3-[anilino(oxo)methyl]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxopentanoate IUPAC Name: 5-[[(6S)-6-tert-butyl-3-(phenylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxopentanoate Traditional Name: 5-[[(6S)-6-tert-butyl-3-(phenylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-5-keto-valerate Formula: C24H29N2O4S- MolecularWeight: 441.56306

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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)CCCC(=O)[O-]

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC=C3)NC(=O)CCCC(=O)[O-]

InChI

InChI=1S/C24H30N2O4S/c1-24(2,3)15-12-13-17-18(14-15)31-23(26-19(27)10-7-11-20(28)29)21(17)22(30)25-16-8-5-4-6-9-16/h4-6,8-9,15H,7,10-14H2,1-3H3,(H,25,30)(H,26,27)(H,28,29)/p-1/t15-/m0/s1