ethyl 2-[(3-chloranyl-6-methoxy-1-benzothiophen-2-yl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-chloranyl-6-methoxy-1-benzothiophen-2-yl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(3-chloro-6-methoxy-benzothiophene-2-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[(3-chloro-6-methoxy-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-chloro-6-methoxy-benzothiophene-2-carbonyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H21ClN2O4S3 MolecularWeight: 509.06114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=C(C4=C(S3)C=C(C=C4)OC)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=C(C4=C(S3)C=C(C=C4)OC)Cl

InChI

InChI=1S/C22H21ClN2O4S3/c1-3-29-21(27)16-12-6-4-5-7-14(12)32-20(16)25-22(30)24-19(26)18-17(23)13-9-8-11(28-2)10-15(13)31-18/h8-10H,3-7H2,1-2H3,(H2,24,25,26,30)