methyl 2-[6-methyl-2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-methyl-2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-methyl-2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methyl-2-[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-methyl-2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-methyl-2-[(E)-3-(3-nitrophenyl)acryloyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-])S2)CC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])S2)CC(=O)OC

InChI

InChI=1S/C20H17N3O5S/c1-13-6-8-16-17(10-13)29-20(22(16)12-19(25)28-2)21-18(24)9-7-14-4-3-5-15(11-14)23(26)27/h3-11H,12H2,1-2H3/b9-7+,21-20?