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

Systemtic Name: 5-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-5-keto-3,3-dimethyl-valeric acid Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CC(C)(C)CC(=O)O

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CC(C)(C)CC(=O)O

InChI

InChI=1S/C17H22N2O3S/c1-10-4-5-11-12(9-18)16(23-13(11)6-10)19-14(20)7-17(2,3)8-15(21)22/h10H,4-8H2,1-3H3,(H,19,20)(H,21,22)