ethyl 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylimino-3-ethyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylimino-3-ethyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-oxomethyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C28H27N3O5S2 MolecularWeight: 549.66108

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H27N3O5S2/c1-3-31-24-14-11-21(27(33)36-4-2)17-25(24)37-28(31)29-26(32)20-9-12-23(13-10-20)38(34,35)30-16-15-19-7-5-6-8-22(19)18-30/h5-14,17H,3-4,15-16,18H2,1-2H3