3-[(2-tert-butyl-5-methoxy-1,3-benzothiazol-6-yl)carbamothioylsulfanyl]propanoic acid

Systemtic Name: 3-[(2-tert-butyl-5-methoxy-1,3-benzothiazol-6-yl)carbamothioylsulfanyl]propanoic acid Openeye Name: 3-[(2-tert-butyl-5-methoxy-1,3-benzothiazol-6-yl)carbamothioylsulfanyl]propanoic acid CAS Name: 3-[[[(2-tert-butyl-5-methoxy-1,3-benzothiazol-6-yl)amino]-sulfanylidenemethyl]thio]propanoic acid IUPAC Name: 3-[(2-tert-butyl-5-methoxy-1,3-benzothiazol-6-yl)carbamothioylsulfanyl]propanoic acid Traditional Name: 3-[(2-tert-butyl-5-methoxy-1,3-benzothiazol-6-yl)thiocarbamoylthio]propionic acid Formula: C16H20N2O3S3 MolecularWeight: 384.5366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC(=C(C=C2S1)NC(=S)SCCC(=O)O)OC

Isomeric SMILES

CC(C)(C)C1=NC2=CC(=C(C=C2S1)NC(=S)SCCC(=O)O)OC

InChI

InChI=1S/C16H20N2O3S3/c1-16(2,3)14-17-10-7-11(21-4)9(8-12(10)24-14)18-15(22)23-6-5-13(19)20/h7-8H,5-6H2,1-4H3,(H,18,22)(H,19,20)