ethyl 2-[2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylimino-6-methyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylimino-6-methyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]imino-6-methyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-oxomethyl]imino-6-methyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]imino-6-methyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]imino-6-methyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C28H27N3O5S2 MolecularWeight: 549.66108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H27N3O5S2/c1-3-36-26(32)18-31-24-13-8-19(2)16-25(24)37-28(31)29-27(33)21-9-11-23(12-10-21)38(34,35)30-15-14-20-6-4-5-7-22(20)17-30/h4-13,16H,3,14-15,17-18H2,1-2H3