5-[[(6S)-6-methyl-3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[[(6S)-6-methyl-3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[[(6S)-6-methyl-3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-5-oxo-pentanoate CAS Name: 5-[[(6S)-6-methyl-3-[oxo-(3-pyridinylmethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxopentanoate IUPAC Name: 5-[[(6S)-6-methyl-3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxopentanoate Traditional Name: 5-keto-5-[[(6S)-6-methyl-3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]valerate Formula: C21H24N3O4S- MolecularWeight: 414.49796

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)NCC3=CN=CC=C3)NC(=O)CCCC(=O)[O-]

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)NCC3=CN=CC=C3)NC(=O)CCCC(=O)[O-]

InChI

InChI=1S/C21H25N3O4S/c1-13-7-8-15-16(10-13)29-21(24-17(25)5-2-6-18(26)27)19(15)20(28)23-12-14-4-3-9-22-11-14/h3-4,9,11,13H,2,5-8,10,12H2,1H3,(H,23,28)(H,24,25)(H,26,27)/p-1/t13-/m0/s1