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

Systemtic Name: (3S)-5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-methyl-5-oxidanylidene-pentanoic acid Openeye Name: (3S)-5-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3-methyl-5-oxo-pentanoic acid CAS Name: (3S)-5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-methyl-5-oxopentanoic acid IUPAC Name: (3S)-5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-methyl-5-oxopentanoic acid Traditional Name: (3S)-5-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-5-keto-3-methyl-valeric acid Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O3S/c1-9(7-14(19)20)6-13(18)17-15-11(8-16)10-4-2-3-5-12(10)21-15/h9H,2-7H2,1H3,(H,17,18)(H,19,20)/t9-/m0/s1