(E)-but-2-enedioic acid; N-[3-(butoxymethyl)isoquinolin-6-yl]-4,4a,5,10-tetrahydro-3H-[1,3]thiazino[3,4-b]isoquinolin-1-imine

Systemtic Name: (E)-but-2-enedioic acid; N-[3-(butoxymethyl)isoquinolin-6-yl]-4,4a,5,10-tetrahydro-3H-[1,3]thiazino[3,4-b]isoquinolin-1-imine Openeye Name: N-[3-(butoxymethyl)-6-isoquinolyl]-4,4a,5,10-tetrahydro-3H-[1,3]thiazino[3,4-b]isoquinolin-1-imine; fumaric acid CAS Name: (E)-2-butenedioic acid; N-[3-(butoxymethyl)-6-isoquinolinyl]-4,4a,5,10-tetrahydro-3H-[1,3]thiazino[3,4-b]isoquinolin-1-imine IUPAC Name: (E)-but-2-enedioic acid; N-[3-(butoxymethyl)isoquinolin-6-yl]-4,4a,5,10-tetrahydro-3H-[1,3]thiazino[3,4-b]isoquinolin-1-imine Traditional Name: 4,4a,5,10-tetrahydro-3H-[1,3]thiazin[3,4-b]isoquinolin-1-ylidene-[3-(butoxymethyl)-6-isoquinolyl]amine; fumaric acid Formula: C30H33N3O5S MolecularWeight: 547.66512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC1=NC=C2C=CC(=CC2=C1)N=C3N4CC5=CC=CC=C5CC4CCS3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCOCC1=NC=C2C=CC(=CC2=C1)N=C3N4CC5=CC=CC=C5CC4CCS3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C26H29N3OS.C4H4O4/c1-2-3-11-30-18-24-14-22-13-23(9-8-20(22)16-27-24)28-26-29-17-21-7-5-4-6-19(21)15-25(29)10-12-31-26;5-3(6)1-2-4(7)8/h4-9,13-14,16,25H,2-3,10-12,15,17-18H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+