ethyl 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[(E)-3-(4-nitrophenyl)acryloyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C19H15N3O5S MolecularWeight: 397.4045

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O5S/c1-2-27-18(24)13-6-9-15-16(11-13)28-19(20-15)21-17(23)10-5-12-3-7-14(8-4-12)22(25)26/h3-11H,2H2,1H3,(H,20,21,23)/b10-5+