ethyl 5-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-2-chloranyl-benzoate

Systemtic Name: ethyl 5-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-2-chloranyl-benzoate Openeye Name: ethyl 5-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-2-chloro-benzoate CAS Name: 5-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-2-chlorobenzoic acid ethyl ester IUPAC Name: ethyl 5-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-2-chlorobenzoate Traditional Name: 5-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-2-chloro-benzoic acid ethyl ester Formula: C18H15ClN2O3S2 MolecularWeight: 406.9063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3S2)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3S2)Cl

InChI

InChI=1S/C18H15ClN2O3S2/c1-2-24-17(23)12-9-11(7-8-13(12)19)20-16(22)10-25-18-21-14-5-3-4-6-15(14)26-18/h3-9H,2,10H2,1H3,(H,20,22)