5-azanylidene-4-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-(2-methoxyphenyl)-2-methyl-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide

Systemtic Name: 5-azanylidene-4-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-(2-methoxyphenyl)-2-methyl-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide Openeye Name: 4-(2-amino-2-oxo-ethyl)sulfanyl-5-imino-N-(2-methoxyphenyl)-2-methyl-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide CAS Name: 4-[(2-amino-2-oxoethyl)thio]-5-imino-N-(2-methoxyphenyl)-2-methyl-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide IUPAC Name: 4-(2-amino-2-oxoethyl)sulfanyl-5-imino-N-(2-methoxyphenyl)-2-methyl-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide Traditional Name: 4-[(2-amino-2-keto-ethyl)thio]-5-imino-N-(2-methoxyphenyl)-2-methyl-9bH-thiopyrano[4,3-a]pyrrolizine-1-carboxamide Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2C3=CC=CN3C(=N)C2=C(S1)SCC(=O)N)C(=O)NC4=CC=CC=C4OC

Isomeric SMILES

CC1=C(C2C3=CC=CN3C(=N)C2=C(S1)SCC(=O)N)C(=O)NC4=CC=CC=C4OC

InChI

InChI=1S/C21H20N4O3S2/c1-11-16(20(27)24-12-6-3-4-8-14(12)28-2)17-13-7-5-9-25(13)19(23)18(17)21(30-11)29-10-15(22)26/h3-9,17,23H,10H2,1-2H3,(H2,22,26)(H,24,27)