methyl 3-[1-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]-2-methyl-indolizin-3-yl]propanoate

Systemtic Name: methyl 3-[1-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]-2-methyl-indolizin-3-yl]propanoate Openeye Name: methyl 3-[1-(3-chlorobenzothiophene-2-carbonyl)-2-methyl-indolizin-3-yl]propanoate CAS Name: 3-[1-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]-2-methyl-3-indolizinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(3-chloro-1-benzothiophene-2-carbonyl)-2-methylindolizin-3-yl]propanoate Traditional Name: 3-[1-(3-chlorobenzothiophene-2-carbonyl)-2-methyl-indolizin-3-yl]propionic acid methyl ester Formula: C22H18ClNO3S MolecularWeight: 411.90122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C=CC=CC2=C1C(=O)C3=C(C4=CC=CC=C4S3)Cl)CCC(=O)OC

Isomeric SMILES

CC1=C(N2C=CC=CC2=C1C(=O)C3=C(C4=CC=CC=C4S3)Cl)CCC(=O)OC

InChI

InChI=1S/C22H18ClNO3S/c1-13-15(10-11-18(25)27-2)24-12-6-5-8-16(24)19(13)21(26)22-20(23)14-7-3-4-9-17(14)28-22/h3-9,12H,10-11H2,1-2H3