2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-(butylamino)-3-oxidanylidene-propanoate; cobalt(2+)

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-(butylamino)-3-oxidanylidene-propanoate; cobalt(2+) Openeye Name: cobaltous 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-(butylamino)-3-oxo-propanoate CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-3-(butylamino)-3-oxopropanoate; cobalt(2+) IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-(butylamino)-3-oxopropanoate; cobalt(2+) Traditional Name: cobaltous 2-[(1,3-benzothiazol-2-ylthio)methyl]-3-(butylamino)-3-keto-propionate Formula: C30H34CoN4O6S4 MolecularWeight: 733.80736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(CSC1=NC2=CC=CC=C2S1)C(=O)[O-].CCCCNC(=O)C(CSC1=NC2=CC=CC=C2S1)C(=O)[O-].[Co+2]

Isomeric SMILES

CCCCNC(=O)C(CSC1=NC2=CC=CC=C2S1)C(=O)[O-].CCCCNC(=O)C(CSC1=NC2=CC=CC=C2S1)C(=O)[O-].[Co+2]

InChI

InChI=1S/2C15H18N2O3S2.Co/c2*1-2-3-8-16-13(18)10(14(19)20)9-21-15-17-11-6-4-5-7-12(11)22-15;/h2*4-7,10H,2-3,8-9H2,1H3,(H,16,18)(H,19,20);/q;;+2/p-2