N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-7-oxidanylidene-2-(2-phenoxyethanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide

Systemtic Name: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-7-oxidanylidene-2-(2-phenoxyethanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide Openeye Name: N-(isochroman-1-ylmethyl)-7-oxo-2-[(2-phenoxyacetyl)amino]-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide CAS Name: N-(3,4-dihydro-1H-2-benzopyran-1-ylmethyl)-7-oxo-2-[(1-oxo-2-phenoxyethyl)amino]-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide IUPAC Name: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-7-oxo-2-[(2-phenoxyacetyl)amino]-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide Traditional Name: N-(isochroman-1-ylmethyl)-7-keto-2-[(2-phenoxyacetyl)amino]-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide Formula: C26H25N3O5S MolecularWeight: 491.5588

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)CNC(=O)C3CC4=C(C(=O)C3)SC(=N4)NC(=O)COC5=CC=CC=C5

Isomeric SMILES

C1COC(C2=CC=CC=C21)CNC(=O)C3CC4=C(C(=O)C3)SC(=N4)NC(=O)COC5=CC=CC=C5

InChI

InChI=1S/C26H25N3O5S/c30-21-13-17(25(32)27-14-22-19-9-5-4-6-16(19)10-11-33-22)12-20-24(21)35-26(28-20)29-23(31)15-34-18-7-2-1-3-8-18/h1-9,17,22H,10-15H2,(H,27,32)(H,28,29,31)