dimethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]amino]ethyl]azanium

Systemtic Name: dimethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]amino]ethyl]azanium Openeye Name: dimethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-[(E)-3-(5-nitro-2-thienyl)prop-2-enoyl]amino]ethyl]ammonium CAS Name: dimethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-[(E)-3-(5-nitro-2-thiophenyl)-1-oxoprop-2-enyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]amino]ethyl]azanium Traditional Name: dimethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-[(E)-3-(5-nitro-2-thienyl)acryloyl]amino]ethyl]ammonium Formula: C19H21N4O3S2+ MolecularWeight: 417.52504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)C=CC3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)/C=C/C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O3S2/c1-13-4-7-15-16(12-13)28-19(20-15)22(11-10-21(2)3)17(24)8-5-14-6-9-18(27-14)23(25)26/h4-9,12H,10-11H2,1-3H3/p+1/b8-5+