ethyl 4-(2-methyl-1-phenyl-benzimidazol-5-yl)carbonylthiomorpholine-3-carboxylate

Systemtic Name: ethyl 4-(2-methyl-1-phenyl-benzimidazol-5-yl)carbonylthiomorpholine-3-carboxylate Openeye Name: ethyl 4-(2-methyl-1-phenyl-benzimidazole-5-carbonyl)thiomorpholine-3-carboxylate CAS Name: 4-[(2-methyl-1-phenyl-5-benzimidazolyl)-oxomethyl]-3-thiomorpholinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)thiomorpholine-3-carboxylate Traditional Name: 4-(2-methyl-1-phenyl-benzimidazole-5-carbonyl)thiomorpholine-3-carboxylic acid ethyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSCCN1C(=O)C2=CC3=C(C=C2)N(C(=N3)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CSCCN1C(=O)C2=CC3=C(C=C2)N(C(=N3)C)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3S/c1-3-28-22(27)20-14-29-12-11-24(20)21(26)16-9-10-19-18(13-16)23-15(2)25(19)17-7-5-4-6-8-17/h4-10,13,20H,3,11-12,14H2,1-2H3