5-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: 5-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: 5-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]benzene-1,3-dicarboxylate IUPAC Name: 5-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]isophthalate Formula: C17H10N2O5S2-2 MolecularWeight: 386.4017

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NC3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NC3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C17H12N2O5S2/c20-14(8-25-17-19-12-3-1-2-4-13(12)26-17)18-11-6-9(15(21)22)5-10(7-11)16(23)24/h1-7H,8H2,(H,18,20)(H,21,22)(H,23,24)/p-2