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

Systemtic Name: (3S)-5-[[(6S)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-3-methyl-5-oxidanylidene-pentanoate Openeye Name: (3S)-5-[[(6S)-3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-3-methyl-5-oxo-pentanoate CAS Name: (3S)-5-[[(6S)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-3-methyl-5-oxopentanoate IUPAC Name: (3S)-5-[[(6S)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-3-methyl-5-oxopentanoate Traditional Name: (3S)-5-[[(6S)-3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-5-keto-3-methyl-valerate Formula: C17H21N2O3S- MolecularWeight: 333.42524

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)CC(C)CC(=O)[O-]

Isomeric SMILES

CC[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)C[C@H](C)CC(=O)[O-]

InChI

InChI=1S/C17H22N2O3S/c1-3-11-4-5-12-13(9-18)17(23-14(12)8-11)19-15(20)6-10(2)7-16(21)22/h10-11H,3-8H2,1-2H3,(H,19,20)(H,21,22)/p-1/t10-,11-/m0/s1