methyl 6-[[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]pyridine-3-carboxylate Openeye Name: methyl 6-[[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]pyridine-3-carboxylate CAS Name: 6-[oxo-[[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]amino]methyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]pyridine-3-carboxylate Traditional Name: 6-[[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]carbamoyl]nicotinic acid methyl ester Formula: C20H21N3O3S3 MolecularWeight: 447.59404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=NC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=NC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H21N3O3S3/c1-12(2)27-8-9-28-20-23-15-7-5-14(10-17(15)29-20)22-18(24)16-6-4-13(11-21-16)19(25)26-3/h4-7,10-12H,8-9H2,1-3H3,(H,22,24)