(E)-4-(1,3-benzothiazol-2-ylcarbamoylamino)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-(1,3-benzothiazol-2-ylcarbamoylamino)-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-ylcarbamoylamino)-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[(1,3-benzothiazol-2-ylamino)-oxomethyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-ylcarbamoylamino)-4-oxobut-2-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-ylcarbamoylamino)-4-keto-but-2-enoic acid Formula: C12H9N3O4S MolecularWeight: 291.28256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C12H9N3O4S/c16-9(5-6-10(17)18)14-11(19)15-12-13-7-3-1-2-4-8(7)20-12/h1-6H,(H,17,18)(H2,13,14,15,16,19)/b6-5+