ethyl 3-phenylazanyl-2-pyrrolo[1,2-a]pyrazin-2-ium-2-yl-3-sulfanyl-prop-2-enoate

Systemtic Name: ethyl 3-phenylazanyl-2-pyrrolo[1,2-a]pyrazin-2-ium-2-yl-3-sulfanyl-prop-2-enoate Openeye Name: ethyl 3-anilino-2-pyrrolo[1,2-a]pyrazin-2-ium-2-yl-3-sulfanyl-prop-2-enoate CAS Name: 3-anilino-3-mercapto-2-(2-pyrrolo[1,2-a]pyrazin-2-iumyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl 3-anilino-2-pyrrolo[1,2-a]pyrazin-2-ium-2-yl-3-sulfanylprop-2-enoate Traditional Name: 3-anilino-3-mercapto-2-pyrrolo[1,2-a]pyrazin-2-ium-2-yl-acrylic acid ethyl ester Formula: C18H18N3O2S+ MolecularWeight: 340.41942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NC1=CC=CC=C1)S)[N+]2=CC3=CC=CN3C=C2

Isomeric SMILES

CCOC(=O)C(=C(NC1=CC=CC=C1)S)[N+]2=CC3=CC=CN3C=C2

InChI

InChI=1S/C18H17N3O2S/c1-2-23-18(22)16(17(24)19-14-7-4-3-5-8-14)21-12-11-20-10-6-9-15(20)13-21/h3-13H,2H2,1H3,(H-,19,22,24)/p+1