2-[(2-azanyl-2-oxidanylidene-ethoxy)amino]-2-(2-azanyl-1,3-thiazol-4-yl)-2-(4-sulfanyl-1,3-benzothiazol-2-yl)ethanoate

Systemtic Name: 2-[(2-azanyl-2-oxidanylidene-ethoxy)amino]-2-(2-azanyl-1,3-thiazol-4-yl)-2-(4-sulfanyl-1,3-benzothiazol-2-yl)ethanoate Openeye Name: 2-[(2-amino-2-oxo-ethoxy)amino]-2-(2-aminothiazol-4-yl)-2-(4-sulfanyl-1,3-benzothiazol-2-yl)acetate CAS Name: 2-[(2-amino-2-oxoethoxy)amino]-2-(2-amino-4-thiazolyl)-2-(4-mercapto-1,3-benzothiazol-2-yl)acetate IUPAC Name: 2-[(2-amino-2-oxoethoxy)amino]-2-(2-amino-1,3-thiazol-4-yl)-2-(4-sulfanyl-1,3-benzothiazol-2-yl)acetate Traditional Name: 2-[(2-amino-2-keto-ethoxy)amino]-2-(2-aminothiazol-4-yl)-2-(4-mercapto-1,3-benzothiazol-2-yl)acetate Formula: C14H12N5O4S3- MolecularWeight: 410.47118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)S)N=C(S2)C(C3=CSC(=N3)N)(C(=O)[O-])NOCC(=O)N

Isomeric SMILES

C1=CC2=C(C(=C1)S)N=C(S2)C(C3=CSC(=N3)N)(C(=O)[O-])NOCC(=O)N

InChI

InChI=1S/C14H13N5O4S3/c15-9(20)4-23-19-14(12(21)22,8-5-25-13(16)17-8)11-18-10-6(24)2-1-3-7(10)26-11/h1-3,5,19,24H,4H2,(H2,15,20)(H2,16,17)(H,21,22)/p-1