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

Systemtic Name: methyl 2-[2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylimino-6-methoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]imino-6-methoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-oxomethyl]imino-6-methoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]imino-6-methoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]imino-6-methoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C27H25N3O6S2 MolecularWeight: 551.6339

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)S2)CC(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)S2)CC(=O)OC

InChI

InChI=1S/C27H25N3O6S2/c1-35-21-9-12-23-24(15-21)37-27(30(23)17-25(31)36-2)28-26(32)19-7-10-22(11-8-19)38(33,34)29-14-13-18-5-3-4-6-20(18)16-29/h3-12,15H,13-14,16-17H2,1-2H3