1,3-benzothiazol-2-ylmethyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(4-methylthiazol-2-yl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(4-methyl-2-thiazolyl)thio]-5-nitrobenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitrobenzoate Traditional Name: 2-[(4-methylthiazol-2-yl)thio]-5-nitro-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H13N3O4S3 MolecularWeight: 443.51922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H13N3O4S3/c1-11-10-27-19(20-11)29-15-7-6-12(22(24)25)8-13(15)18(23)26-9-17-21-14-4-2-3-5-16(14)28-17/h2-8,10H,9H2,1H3