2-[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid Openeye Name: 2-[(2-allylsulfanyl-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid CAS Name: 2-[oxo-[[2-(prop-2-enylthio)-1,3-benzothiazol-6-yl]amino]methyl]benzoic acid IUPAC Name: 2-[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid Traditional Name: 2-[[2-(allylthio)-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid Formula: C18H14N2O3S2 MolecularWeight: 370.44536

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C=CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H14N2O3S2/c1-2-9-24-18-20-14-8-7-11(10-15(14)25-18)19-16(21)12-5-3-4-6-13(12)17(22)23/h2-8,10H,1,9H2,(H,19,21)(H,22,23)