ethyl 6-methyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-methyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[(4-pyrrolidinosulfonylbenzoyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H29N3O5S3 MolecularWeight: 535.69916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C24H29N3O5S3/c1-3-32-23(29)20-18-11-6-15(2)14-19(18)34-22(20)26-24(33)25-21(28)16-7-9-17(10-8-16)35(30,31)27-12-4-5-13-27/h7-10,15H,3-6,11-14H2,1-2H3,(H2,25,26,28,33)