methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(5-tert-butylisoxazol-3-yl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[(5-tert-butyl-3-isoxazolyl)amino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(5-tert-butylisoxazol-3-yl)thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C19H25N3O3S2 MolecularWeight: 407.5501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=NOC(=C3)C(C)(C)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=NOC(=C3)C(C)(C)C

InChI

InChI=1S/C19H25N3O3S2/c1-10-6-7-11-12(8-10)27-16(15(11)17(23)24-5)21-18(26)20-14-9-13(25-22-14)19(2,3)4/h9-10H,6-8H2,1-5H3,(H2,20,21,22,26)