methyl 3-chloranyl-6-(3-ethylpent-1-yn-3-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-(3-ethylpent-1-yn-3-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(1,1-diethylprop-2-ynylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(3-ethylpent-1-yn-3-ylamino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(3-ethylpent-1-yn-3-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(1,1-diethylprop-2-ynylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C18H19ClN2O2S2 MolecularWeight: 394.93866

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=S)NC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)Cl

Isomeric SMILES

CCC(CC)(C#C)NC(=S)NC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)Cl

InChI

InChI=1S/C18H19ClN2O2S2/c1-5-18(6-2,7-3)21-17(24)20-11-8-9-12-13(10-11)25-15(14(12)19)16(22)23-4/h1,8-10H,6-7H2,2-4H3,(H2,20,21,24)