methyl 6-[1-(1,3-benzodioxol-5-yl)ethylcarbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-[1-(1,3-benzodioxol-5-yl)ethylcarbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[1-(1,3-benzodioxol-5-yl)ethylcarbamothioylamino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[[1-(1,3-benzodioxol-5-yl)ethylamino]-sulfanylidenemethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[1-(1,3-benzodioxol-5-yl)ethylcarbamothioylamino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[1-(1,3-benzodioxol-5-yl)ethylthiocarbamoylamino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C20H17ClN2O4S2 MolecularWeight: 448.94298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NC(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl

InChI

InChI=1S/C20H17ClN2O4S2/c1-10(11-3-6-14-15(7-11)27-9-26-14)22-20(28)23-12-4-5-13-16(8-12)29-18(17(13)21)19(24)25-2/h3-8,10H,9H2,1-2H3,(H2,22,23,28)