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

Systemtic Name: methyl 5-ethyl-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C17H21N3O2S3 MolecularWeight: 395.56254

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=NC3=C(S2)CC(CC3)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=NC3=C(S2)CC(CC3)C)C(=O)OC

InChI

InChI=1S/C17H21N3O2S3/c1-4-10-8-11(15(21)22-3)14(24-10)19-16(23)20-17-18-12-6-5-9(2)7-13(12)25-17/h8-9H,4-7H2,1-3H3,(H2,18,19,20,23)