methyl 6-[[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]pyridine-3-carboxylate Openeye Name: methyl 6-[[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]pyridine-3-carboxylate CAS Name: 6-[[[2-[(3-methoxy-3-methylbutyl)thio]-1,3-benzothiazol-6-yl]amino]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[[2-(3-methoxy-3-methylbutyl)sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]pyridine-3-carboxylate Traditional Name: 6-[[2-[(3-methoxy-3-methyl-butyl)thio]-1,3-benzothiazol-6-yl]carbamoyl]nicotinic acid methyl ester Formula: C21H23N3O4S2 MolecularWeight: 445.55502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=NC=C(C=C3)C(=O)OC)OC

Isomeric SMILES

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=NC=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C21H23N3O4S2/c1-21(2,28-4)9-10-29-20-24-15-8-6-14(11-17(15)30-20)23-18(25)16-7-5-13(12-22-16)19(26)27-3/h5-8,11-12H,9-10H2,1-4H3,(H,23,25)