2-[[2-(2-naphthalen-2-yl-2-oxidanylidene-ethyl)sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[2-(2-naphthalen-2-yl-2-oxidanylidene-ethyl)sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid Openeye Name: 2-[[2-[2-(2-naphthyl)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid CAS Name: 2-[[[2-[[2-(2-naphthalenyl)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[2-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid Traditional Name: 2-[[2-[[2-keto-2-(2-naphthyl)ethyl]thio]-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid Formula: C27H18N2O4S2 MolecularWeight: 498.57282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=O)CSC3=NC4=C(S3)C=C(C=C4)NC(=O)C5=CC=CC=C5C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)CSC3=NC4=C(S3)C=C(C=C4)NC(=O)C5=CC=CC=C5C(=O)O

InChI

InChI=1S/C27H18N2O4S2/c30-23(18-10-9-16-5-1-2-6-17(16)13-18)15-34-27-29-22-12-11-19(14-24(22)35-27)28-25(31)20-7-3-4-8-21(20)26(32)33/h1-14H,15H2,(H,28,31)(H,32,33)