methyl 2-[[5-azanylidene-2-methyl-1-(phenylcarbamoyl)-9bH-pyrano[4,3-a]pyrrolizin-4-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[5-azanylidene-2-methyl-1-(phenylcarbamoyl)-9bH-pyrano[4,3-a]pyrrolizin-4-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-imino-2-methyl-1-(phenylcarbamoyl)-9bH-pyrano[4,3-a]pyrrolizin-4-yl]sulfanyl]acetate CAS Name: 2-[[1-[anilino(oxo)methyl]-5-imino-2-methyl-9bH-pyrano[4,3-a]pyrrolizin-4-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-imino-2-methyl-1-(phenylcarbamoyl)-9bH-pyrano[4,3-a]pyrrolizin-4-yl]sulfanyl]acetate Traditional Name: 2-[[5-imino-2-methyl-1-(phenylcarbamoyl)-9bH-pyrano[4,3-a]pyrrolizin-4-yl]thio]acetic acid methyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2C3=CC=CN3C(=N)C2=C(O1)SCC(=O)OC)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2C3=CC=CN3C(=N)C2=C(O1)SCC(=O)OC)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H19N3O4S/c1-12-16(20(26)23-13-7-4-3-5-8-13)17-14-9-6-10-24(14)19(22)18(17)21(28-12)29-11-15(25)27-2/h3-10,17,22H,11H2,1-2H3,(H,23,26)