ethyl 8-benzamido-3-prop-2-enyl-3,4-dihydro-2H-thieno[3,2-h][1,3]benzoxazin-3-ium-7-carboxylate

Systemtic Name: ethyl 8-benzamido-3-prop-2-enyl-3,4-dihydro-2H-thieno[3,2-h][1,3]benzoxazin-3-ium-7-carboxylate Openeye Name: ethyl 3-allyl-8-benzamido-3,4-dihydro-2H-thieno[3,2-h][1,3]benzoxazin-3-ium-7-carboxylate CAS Name: 8-benzamido-3-prop-2-enyl-3,4-dihydro-2H-thieno[3,2-h][1,3]benzoxazin-3-ium-7-carboxylic acid ethyl ester IUPAC Name: ethyl 8-benzamido-3-prop-2-enyl-3,4-dihydro-2H-thieno[3,2-h][1,3]benzoxazin-3-ium-7-carboxylate Traditional Name: 3-allyl-8-benzamido-3,4-dihydro-2H-thieno[3,2-h][1,3]benzoxazin-3-ium-7-carboxylic acid ethyl ester Formula: C23H23N2O4S+ MolecularWeight: 423.50472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C=CC3=C2OC[NH+](C3)CC=C)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C=CC3=C2OC[NH+](C3)CC=C)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H22N2O4S/c1-3-12-25-13-16-10-11-17-18(23(27)28-4-2)22(30-20(17)19(16)29-14-25)24-21(26)15-8-6-5-7-9-15/h3,5-11H,1,4,12-14H2,2H3,(H,24,26)/p+1