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

Systemtic Name: ethyl 3-[1-methanoyl-2-(4-methoxyphenyl)pyrrolo[2,1-b][1,3]benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[1-formyl-2-(4-methoxyphenyl)pyrrolo[2,1-b][1,3]benzothiazol-3-yl]propanoate CAS Name: 3-[1-formyl-2-(4-methoxyphenyl)-3-pyrrolo[2,1-b][1,3]benzothiazolyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[1-formyl-2-(4-methoxyphenyl)pyrrolo[2,1-b][1,3]benzothiazol-3-yl]propanoate Traditional Name: 3-[1-formyl-2-(4-methoxyphenyl)pyrrolo[2,1-b][1,3]benzothiazol-3-yl]propionic acid ethyl ester Formula: C23H21NO4S MolecularWeight: 407.48214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C2N(C3=CC=CC=C3S2)C(=C1C4=CC=C(C=C4)OC)C=O

Isomeric SMILES

CCOC(=O)CCC1=C2N(C3=CC=CC=C3S2)C(=C1C4=CC=C(C=C4)OC)C=O

InChI

InChI=1S/C23H21NO4S/c1-3-28-21(26)13-12-17-22(15-8-10-16(27-2)11-9-15)19(14-25)24-18-6-4-5-7-20(18)29-23(17)24/h4-11,14H,3,12-13H2,1-2H3