ethyl 2-[6-methylsulfonyl-2-[(Z)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-methylsulfonyl-2-[(Z)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-methylsulfonyl-2-[(Z)-3-(5-nitro-2-thienyl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methylsulfonyl-2-[(Z)-3-(5-nitro-2-thiophenyl)-1-oxoprop-2-enyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-methylsulfonyl-2-[(Z)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-mesyl-2-[(Z)-3-(5-nitro-2-thienyl)acryloyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C19H17N3O7S3 MolecularWeight: 495.54918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C=CC3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)/C=C\C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O7S3/c1-3-29-18(24)11-21-14-7-6-13(32(2,27)28)10-15(14)31-19(21)20-16(23)8-4-12-5-9-17(30-12)22(25)26/h4-10H,3,11H2,1-2H3/b8-4-,20-19?