4-[(6-methyl-1,3-benzothiazol-2-yl)carbamoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(6-methyl-1,3-benzothiazol-2-yl)carbamoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(6-methyl-1,3-benzothiazol-2-yl)carbamoylamino]-4-oxo-butanoic acid CAS Name: 4-[[[(6-methyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[(6-methyl-1,3-benzothiazol-2-yl)carbamoylamino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[(6-methyl-1,3-benzothiazol-2-yl)carbamoylamino]butyric acid Formula: C13H13N3O4S MolecularWeight: 307.32502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)NC(=O)CCC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)NC(=O)CCC(=O)O

InChI

InChI=1S/C13H13N3O4S/c1-7-2-3-8-9(6-7)21-13(14-8)16-12(20)15-10(17)4-5-11(18)19/h2-3,6H,4-5H2,1H3,(H,18,19)(H2,14,15,16,17,20)