[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]amino] 4-methylbenzenesulfinate

Systemtic Name: [[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]amino] 4-methylbenzenesulfinate Openeye Name: [[4-(1,3-benzothiazol-2-ylsulfanylmethyl)thiazol-2-yl]amino] 4-methylbenzenesulfinate CAS Name: 4-methylbenzenesulfinic acid [[4-[(1,3-benzothiazol-2-ylthio)methyl]-2-thiazolyl]amino] ester IUPAC Name: [[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]amino] 4-methylbenzenesulfinate Traditional Name: 4-methylbenzenesulfinic acid [[4-[(1,3-benzothiazol-2-ylthio)methyl]thiazol-2-yl]amino] ester Formula: C18H15N3O2S4 MolecularWeight: 433.5906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)ONC2=NC(=CS2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)ONC2=NC(=CS2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H15N3O2S4/c1-12-6-8-14(9-7-12)27(22)23-21-17-19-13(10-24-17)11-25-18-20-15-4-2-3-5-16(15)26-18/h2-10H,11H2,1H3,(H,19,21)