(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C24H23NO4S MolecularWeight: 421.50872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCC3=NC4=CC=CC=C4S3)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCC3=NC4=CC=CC=C4S3)C(C)C

InChI

InChI=1S/C24H23NO4S/c1-14(2)17-12-18-16(11-24(27)29-20(18)10-15(17)3)13-28-23(26)9-8-22-25-19-6-4-5-7-21(19)30-22/h4-7,10-12,14H,8-9,13H2,1-3H3