ethyl 5-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)carbamothioylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)carbamothioylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[(2-chloro-5-morpholinosulfonyl-phenyl)carbamothioylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[2-chloro-5-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-chloro-5-morpholin-4-ylsulfonylphenyl)carbamothioylamino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[(2-chloro-5-morpholinosulfonyl-phenyl)thiocarbamoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C19H22ClN3O5S3 MolecularWeight: 504.04308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)C

InChI

InChI=1S/C19H22ClN3O5S3/c1-3-28-18(24)17-12(2)10-16(30-17)22-19(29)21-15-11-13(4-5-14(15)20)31(25,26)23-6-8-27-9-7-23/h4-5,10-11H,3,6-9H2,1-2H3,(H2,21,22,29)