methyl 2-[6-acetamido-2-[(Z)-3-(4-nitrophenyl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-acetamido-2-[(Z)-3-(4-nitrophenyl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-acetamido-2-[(Z)-3-(4-nitrophenyl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[(Z)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-acetamido-2-[(Z)-3-(4-nitrophenyl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-[(Z)-3-(4-nitrophenyl)acryloyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H18N4O6S MolecularWeight: 454.45582

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-])S2)CC(=O)OC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)/C=C\C3=CC=C(C=C3)[N+](=O)[O-])S2)CC(=O)OC

InChI

InChI=1S/C21H18N4O6S/c1-13(26)22-15-6-9-17-18(11-15)32-21(24(17)12-20(28)31-2)23-19(27)10-5-14-3-7-16(8-4-14)25(29)30/h3-11H,12H2,1-2H3,(H,22,26)/b10-5-,23-21?