6-chloranyl-4-methyl-7-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethoxy]chromen-2-one

Systemtic Name: 6-chloranyl-4-methyl-7-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethoxy]chromen-2-one Openeye Name: 6-chloro-4-methyl-7-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethoxy]chromen-2-one CAS Name: 6-chloro-4-methyl-7-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethoxy]-1-benzopyran-2-one IUPAC Name: 6-chloro-4-methyl-7-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethoxy]chromen-2-one Traditional Name: 6-chloro-7-[2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethoxy]-4-methyl-coumarin Formula: C22H20ClNO4S MolecularWeight: 429.9165

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)COC3=C(C=C4C(=CC(=O)OC4=C3)C)Cl

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)COC3=C(C=C4C(=CC(=O)OC4=C3)C)Cl

InChI

InChI=1S/C22H20ClNO4S/c1-13-9-22(26)28-18-11-19(16(23)10-15(13)18)27-12-21(25)24-8-7-14(2)29-20-6-4-3-5-17(20)24/h3-6,9-11,14H,7-8,12H2,1-2H3