ethyl 5-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[(4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[(4-chloro-3-pyrrolidinosulfonyl-benzoyl)amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C19H21ClN2O5S2 MolecularWeight: 456.96344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C19H21ClN2O5S2/c1-3-27-19(24)17-12(2)10-16(28-17)21-18(23)13-6-7-14(20)15(11-13)29(25,26)22-8-4-5-9-22/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,21,23)