N-(3-acetamidopropyl)-4-(azidomethyl)-4',7'-dimethoxy-spiro[3H-1,3-thiazole-2,6'-bicyclo[3.1.1]hepta-1(7),2,4-triene]-3'-carboxamide

Systemtic Name: N-(3-acetamidopropyl)-4-(azidomethyl)-4',7'-dimethoxy-spiro[3H-1,3-thiazole-2,6'-bicyclo[3.1.1]hepta-1(7),2,4-triene]-3'-carboxamide Openeye Name: N-(3-acetamidopropyl)-4-(azidomethyl)-4',7'-dimethoxy-spiro[3H-thiazole-2,6'-bicyclo[3.1.1]hepta-1(7),2,4-triene]-3'-carboxamide CAS Name: N-(3-acetamidopropyl)-4-(azidomethyl)-4',7'-dimethoxy-3'-spiro[3H-thiazole-2,6'-bicyclo[3.1.1]hepta-1(7),2,4-triene]carboxamide IUPAC Name: N-(3-acetamidopropyl)-4-(azidomethyl)-4',7'-dimethoxyspiro[3H-1,3-thiazole-2,6'-bicyclo[3.1.1]hepta-1(7),2,4-triene]-3'-carboxamide Traditional Name: N-(3-acetamidopropyl)-4-(azidomethyl)-4',7'-dimethoxy-spiro[4-thiazoline-2,6'-bicyclo[3.1.1]hepta-1(7),2,4-triene]-3'-carboxamide Formula: C18H22N6O4S MolecularWeight: 418.47008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCNC(=O)C1=CC2=C(C(=C1OC)C23NC(=CS3)CN=[N+]=[N-])OC

Isomeric SMILES

CC(=O)NCCCNC(=O)C1=CC2=C(C(=C1OC)C23NC(=CS3)CN=[N+]=[N-])OC

InChI

InChI=1S/C18H22N6O4S/c1-10(25)20-5-4-6-21-17(26)12-7-13-16(28-3)14(15(12)27-2)18(13)23-11(9-29-18)8-22-24-19/h7,9,23H,4-6,8H2,1-3H3,(H,20,25)(H,21,26)