ethyl 4-[2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(6-acetamido-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(6-acetamido-1,3-benzothiazol-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C20H19N3O4S2 MolecularWeight: 429.51256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C

InChI

InChI=1S/C20H19N3O4S2/c1-3-27-19(26)13-4-6-14(7-5-13)22-18(25)11-28-20-23-16-9-8-15(21-12(2)24)10-17(16)29-20/h4-10H,3,11H2,1-2H3,(H,21,24)(H,22,25)