[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C18H15NO3S3 MolecularWeight: 389.5116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C18H15NO3S3/c1-21-15-8-12(18-23-6-7-24-18)3-5-14(15)22-17(20)11-2-4-13-16(9-11)25-10-19-13/h2-5,8-10,18H,6-7H2,1H3