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

Systemtic Name: (3R)-5-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-3-ethyl-3-methyl-5-oxidanylidene-pentanoate Openeye Name: (3R)-5-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-3-ethyl-3-methyl-5-oxo-pentanoate CAS Name: (3R)-5-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-3-ethyl-3-methyl-5-oxopentanoate IUPAC Name: (3R)-5-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-3-ethyl-3-methyl-5-oxopentanoate Traditional Name: (3R)-5-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-3-ethyl-5-keto-3-methyl-valerate Formula: C18H23N2O3S- MolecularWeight: 347.45182

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(=O)NC1=C(C2=C(S1)CC(CC2)C)C#N)CC(=O)[O-]

Isomeric SMILES

CC[C@](C)(CC(=O)NC1=C(C2=C(S1)C[C@H](CC2)C)C#N)CC(=O)[O-]

InChI

InChI=1S/C18H24N2O3S/c1-4-18(3,9-16(22)23)8-15(21)20-17-13(10-19)12-6-5-11(2)7-14(12)24-17/h11H,4-9H2,1-3H3,(H,20,21)(H,22,23)/p-1/t11-,18+/m0/s1