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

Systemtic Name: ethyl 2-[[5-azanylidene-2-methyl-1-(phenylcarbamoyl)-9bH-thiopyrano[4,3-a]pyrrolizin-4-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-imino-2-methyl-1-(phenylcarbamoyl)-9bH-thiopyrano[4,3-a]pyrrolizin-4-yl]sulfanyl]acetate CAS Name: 2-[[1-[anilino(oxo)methyl]-5-imino-2-methyl-9bH-thiopyrano[4,3-a]pyrrolizin-4-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-imino-2-methyl-1-(phenylcarbamoyl)-9bH-thiopyrano[4,3-a]pyrrolizin-4-yl]sulfanyl]acetate Traditional Name: 2-[[5-imino-2-methyl-1-(phenylcarbamoyl)-9bH-thiopyrano[4,3-a]pyrrolizin-4-yl]thio]acetic acid ethyl ester Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C2C(C3=CC=CN3C2=N)C(=C(S1)C)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CSC1=C2C(C3=CC=CN3C2=N)C(=C(S1)C)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O3S2/c1-3-28-16(26)12-29-22-19-18(15-10-7-11-25(15)20(19)23)17(13(2)30-22)21(27)24-14-8-5-4-6-9-14/h4-11,18,23H,3,12H2,1-2H3,(H,24,27)