3-[[4-(1,3-benzothiazol-2-ylamino)-4-oxidanylidene-butanoyl]amino]propanoic acid

Systemtic Name: 3-[[4-(1,3-benzothiazol-2-ylamino)-4-oxidanylidene-butanoyl]amino]propanoic acid Openeye Name: 3-[[4-(1,3-benzothiazol-2-ylamino)-4-oxo-butanoyl]amino]propanoic acid CAS Name: 3-[[4-(1,3-benzothiazol-2-ylamino)-1,4-dioxobutyl]amino]propanoic acid IUPAC Name: 3-[[4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoyl]amino]propanoic acid Traditional Name: 3-[[4-(1,3-benzothiazol-2-ylamino)-4-keto-butanoyl]amino]propionic acid Formula: C14H15N3O4S MolecularWeight: 321.3516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)CCC(=O)NCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)CCC(=O)NCCC(=O)O

InChI

InChI=1S/C14H15N3O4S/c18-11(15-8-7-13(20)21)5-6-12(19)17-14-16-9-3-1-2-4-10(9)22-14/h1-4H,5-8H2,(H,15,18)(H,20,21)(H,16,17,19)