3-methyl-2-[(1-methylazepan-2-ylidene)amino]-3-sulfanyl-butanoic acid

Systemtic Name: 3-methyl-2-[(1-methylazepan-2-ylidene)amino]-3-sulfanyl-butanoic acid Openeye Name: 3-methyl-2-[(1-methylazepan-2-ylidene)amino]-3-sulfanyl-butanoic acid CAS Name: 3-mercapto-3-methyl-2-[(1-methyl-2-azepanylidene)amino]butanoic acid IUPAC Name: 3-methyl-2-[(1-methylazepan-2-ylidene)amino]-3-sulfanylbutanoic acid Traditional Name: 3-mercapto-3-methyl-2-[(1-methylazepan-2-ylidene)amino]butyric acid Formula: C12H22N2O2S MolecularWeight: 258.38028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)N=C1CCCCCN1C)S

Isomeric SMILES

CC(C)(C(C(=O)O)N=C1CCCCCN1C)S

InChI

InChI=1S/C12H22N2O2S/c1-12(2,17)10(11(15)16)13-9-7-5-4-6-8-14(9)3/h10,17H,4-8H2,1-3H3,(H,15,16)