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

Systemtic Name: 5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3-dimethyl-5-oxidanylidene-pentanoate Openeye Name: 5-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3,3-dimethyl-5-oxo-pentanoate CAS Name: 5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3-dimethyl-5-oxopentanoate IUPAC Name: 5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3-dimethyl-5-oxopentanoate Traditional Name: 5-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-5-keto-3,3-dimethyl-valerate Formula: C16H19N2O3S- MolecularWeight: 319.39866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NC1=C(C2=C(S1)CCCC2)C#N)CC(=O)[O-]

Isomeric SMILES

CC(C)(CC(=O)NC1=C(C2=C(S1)CCCC2)C#N)CC(=O)[O-]

InChI

InChI=1S/C16H20N2O3S/c1-16(2,8-14(20)21)7-13(19)18-15-11(9-17)10-5-3-4-6-12(10)22-15/h3-8H2,1-2H3,(H,18,19)(H,20,21)/p-1