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

Systemtic Name: (E)-4-[(6-methyl-1,3-benzothiazol-2-yl)carbamoylamino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(6-methyl-1,3-benzothiazol-2-yl)carbamoylamino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[[(6-methyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(6-methyl-1,3-benzothiazol-2-yl)carbamoylamino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[(6-methyl-1,3-benzothiazol-2-yl)carbamoylamino]but-2-enoic acid Formula: C13H11N3O4S MolecularWeight: 305.30914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O4S/c1-7-2-3-8-9(6-7)21-13(14-8)16-12(20)15-10(17)4-5-11(18)19/h2-6H,1H3,(H,18,19)(H2,14,15,16,17,20)/b5-4+