methyl 4-(1,3,5-trithian-2-ylcarbonylamino)benzoate

Systemtic Name: methyl 4-(1,3,5-trithian-2-ylcarbonylamino)benzoate Openeye Name: methyl 4-(1,3,5-trithiane-2-carbonylamino)benzoate CAS Name: 4-[[oxo(1,3,5-trithian-2-yl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(1,3,5-trithiane-2-carbonylamino)benzoate Traditional Name: 4-(1,3,5-trithiane-2-carbonylamino)benzoic acid methyl ester Formula: C12H13NO3S3 MolecularWeight: 315.43152

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2SCSCS2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2SCSCS2

InChI

InChI=1S/C12H13NO3S3/c1-16-11(15)8-2-4-9(5-3-8)13-10(14)12-18-6-17-7-19-12/h2-5,12H,6-7H2,1H3,(H,13,14)