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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-2-propenoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)acrylic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H14ClNO4S MolecularWeight: 411.85816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C=CC3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)/C=C/C3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H14ClNO4S/c1-12-8-17-14(10-15(12)22)13(9-21(25)27-17)11-26-20(24)7-6-19-23-16-4-2-3-5-18(16)28-19/h2-10H,11H2,1H3/b7-6+