methyl 4-ethyl-5-methyl-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-5-methyl-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C18H23N3O2S3 MolecularWeight: 409.58912

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NC3=C(S2)CC(CC3)C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NC3=C(S2)CC(CC3)C)C

InChI

InChI=1S/C18H23N3O2S3/c1-5-11-10(3)25-15(14(11)16(22)23-4)20-17(24)21-18-19-12-7-6-9(2)8-13(12)26-18/h9H,5-8H2,1-4H3,(H2,19,20,21,24)