methyl 5-ethyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[sulfanylidene-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-ethyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C16H19N3O2S3 MolecularWeight: 381.53596

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=NC3=C(S2)CCCC3)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=NC3=C(S2)CCCC3)C(=O)OC

InChI

InChI=1S/C16H19N3O2S3/c1-3-9-8-10(14(20)21-2)13(23-9)18-15(22)19-16-17-11-6-4-5-7-12(11)24-16/h8H,3-7H2,1-2H3,(H2,17,18,19,22)