propan-2-yl 2-chloranyl-5-[(6-methyl-2,3-dihydro-1,4-dithiin-5-yl)carbothioylamino]benzoate

Systemtic Name: propan-2-yl 2-chloranyl-5-[(6-methyl-2,3-dihydro-1,4-dithiin-5-yl)carbothioylamino]benzoate Openeye Name: isopropyl 2-chloro-5-[(6-methyl-2,3-dihydro-1,4-dithiine-5-carbothioyl)amino]benzoate CAS Name: 2-chloro-5-[[(6-methyl-2,3-dihydro-1,4-dithiin-5-yl)-sulfanylidenemethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-chloro-5-[(6-methyl-2,3-dihydro-1,4-dithiine-5-carbothioyl)amino]benzoate Traditional Name: 2-chloro-5-[(6-methyl-2,3-dihydro-1,4-dithiin-5-carbothioyl)amino]benzoic acid isopropyl ester Formula: C16H18ClNO2S3 MolecularWeight: 387.96762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SCCS1)C(=S)NC2=CC(=C(C=C2)Cl)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SCCS1)C(=S)NC2=CC(=C(C=C2)Cl)C(=O)OC(C)C

InChI

InChI=1S/C16H18ClNO2S3/c1-9(2)20-16(19)12-8-11(4-5-13(12)17)18-15(21)14-10(3)22-6-7-23-14/h4-5,8-9H,6-7H2,1-3H3,(H,18,21)