ethyl 3-nitro-5-[prop-2-enyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoyl]benzoate

Systemtic Name: ethyl 3-nitro-5-[prop-2-enyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoyl]benzoate Openeye Name: ethyl 3-[allyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-[prop-2-enyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[prop-2-enyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoyl]benzoate Traditional Name: 3-[allyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(CC=C)C2=NC3=C(S2)CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(CC=C)C2=NC3=C(S2)CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5S/c1-3-9-22(20-21-16-7-5-6-8-17(16)29-20)18(24)13-10-14(19(25)28-4-2)12-15(11-13)23(26)27/h3,10-12H,1,4-9H2,2H3