N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]-4H-thieno[3,2-c]chromene-2-carboximidate

Systemtic Name: N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]-4H-thieno[3,2-c]chromene-2-carboximidate Openeye Name: N-[4-(morpholin-4-ium-4-ylmethyl)thiazol-2-yl]-4H-thieno[3,2-c]chromene-2-carboximidate CAS Name: N-[4-(4-morpholin-4-iumylmethyl)-2-thiazolyl]-4H-thieno[3,2-c][1]benzopyran-2-carboximidate IUPAC Name: N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]-4H-thieno[3,2-c]chromene-2-carboximidate Traditional Name: N-[4-(morpholin-4-ium-4-ylmethyl)thiazol-2-yl]-4H-thieno[3,2-c]chromene-2-carboximidate Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CSC(=N2)N=C(C3=CC4=C(S3)C5=CC=CC=C5OC4)[O-]

Isomeric SMILES

C1COCC[NH+]1CC2=CSC(=N2)N=C(C3=CC4=C(S3)C5=CC=CC=C5OC4)[O-]

InChI

InChI=1S/C20H19N3O3S2/c24-19(22-20-21-14(12-27-20)10-23-5-7-25-8-6-23)17-9-13-11-26-16-4-2-1-3-15(16)18(13)28-17/h1-4,9,12H,5-8,10-11H2,(H,21,22,24)