2-[(6-azanyl-1,3-benzothiazol-2-yl)sulfanylmethyl]-3-oxidanylidene-3-(prop-2-enylamino)propanoic acid

Systemtic Name: 2-[(6-azanyl-1,3-benzothiazol-2-yl)sulfanylmethyl]-3-oxidanylidene-3-(prop-2-enylamino)propanoic acid Openeye Name: 3-(allylamino)-2-[(6-amino-1,3-benzothiazol-2-yl)sulfanylmethyl]-3-oxo-propanoic acid CAS Name: 2-[[(6-amino-1,3-benzothiazol-2-yl)thio]methyl]-3-oxo-3-(prop-2-enylamino)propanoic acid IUPAC Name: 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanylmethyl]-3-oxo-3-(prop-2-enylamino)propanoic acid Traditional Name: 3-(allylamino)-2-[[(6-amino-1,3-benzothiazol-2-yl)thio]methyl]-3-keto-propionic acid Formula: C14H15N3O3S2 MolecularWeight: 337.4172

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C(CSC1=NC2=C(S1)C=C(C=C2)N)C(=O)O

Isomeric SMILES

C=CCNC(=O)C(CSC1=NC2=C(S1)C=C(C=C2)N)C(=O)O

InChI

InChI=1S/C14H15N3O3S2/c1-2-5-16-12(18)9(13(19)20)7-21-14-17-10-4-3-8(15)6-11(10)22-14/h2-4,6,9H,1,5,7,15H2,(H,16,18)(H,19,20)