dimethyl-[2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-6-yl)ethyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: dimethyl-[2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-6-yl)ethyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: dimethyl-[2-(11-oxo-6H-benzo[c][1]benzothiepin-6-yl)ethyl]ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: dimethyl-[2-(11-oxo-6H-benzo[c][1]benzothiepin-6-yl)ethyl]ammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: dimethyl-[2-(11-oxo-6H-benzo[c][1]benzothiepin-6-yl)ethyl]azanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: (Z)-4-hydroxy-4-keto-but-2-enoate; 2-(11-keto-6H-benzo[c][1]benzothiepin-6-yl)ethyl-dimethyl-ammonium Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC1C2=CC=CC=C2C(=O)C3=CC=CC=C3S1.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C[NH+](C)CCC1C2=CC=CC=C2C(=O)C3=CC=CC=C3S1.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C18H19NOS.C4H4O4/c1-19(2)12-11-17-13-7-3-4-8-14(13)18(20)15-9-5-6-10-16(15)21-17;5-3(6)1-2-4(7)8/h3-10,17H,11-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-