methyl 3-[2-(4-methoxyphenyl)pyrrolo[2,1-b][1,3]benzothiazol-3-yl]-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-[2-(4-methoxyphenyl)pyrrolo[2,1-b][1,3]benzothiazol-3-yl]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[2-(4-methoxyphenyl)pyrrolo[2,1-b][1,3]benzothiazol-3-yl]-3-oxo-propanoate CAS Name: 3-[2-(4-methoxyphenyl)-3-pyrrolo[2,1-b][1,3]benzothiazolyl]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[2-(4-methoxyphenyl)pyrrolo[2,1-b][1,3]benzothiazol-3-yl]-3-oxopropanoate Traditional Name: 3-keto-3-[2-(4-methoxyphenyl)pyrrolo[2,1-b][1,3]benzothiazol-3-yl]propionic acid methyl ester Formula: C21H17NO4S MolecularWeight: 379.42898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4SC3=C2C(=O)CC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4SC3=C2C(=O)CC(=O)OC

InChI

InChI=1S/C21H17NO4S/c1-25-14-9-7-13(8-10-14)15-12-22-16-5-3-4-6-18(16)27-21(22)20(15)17(23)11-19(24)26-2/h3-10,12H,11H2,1-2H3