(2-oxidanylidene-4-propyl-chromen-7-yl) (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate

Systemtic Name: (2-oxidanylidene-4-propyl-chromen-7-yl) (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Openeye Name: (2-oxo-4-propyl-chromen-7-yl) (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-2-propenoic acid (2-oxo-4-propyl-1-benzopyran-7-yl) ester IUPAC Name: (2-oxo-4-propylchromen-7-yl) (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)acrylic acid (2-keto-4-propyl-chromen-7-yl) ester Formula: C22H17NO4S MolecularWeight: 391.43968

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C=CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)/C=C/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H17NO4S/c1-2-5-14-12-22(25)27-18-13-15(8-9-16(14)18)26-21(24)11-10-20-23-17-6-3-4-7-19(17)28-20/h3-4,6-13H,2,5H2,1H3/b11-10+