3-[4-[(Z)-N-(1,3-benzothiazol-2-ylamino)-C-methyl-carbonimidoyl]-5-methyl-furan-2-yl]propanoate

Systemtic Name: 3-[4-[(Z)-N-(1,3-benzothiazol-2-ylamino)-C-methyl-carbonimidoyl]-5-methyl-furan-2-yl]propanoate Openeye Name: 3-[4-[(Z)-N-(1,3-benzothiazol-2-ylamino)-C-methyl-carbonimidoyl]-5-methyl-2-furyl]propanoate CAS Name: 3-[4-[(1Z)-1-(1,3-benzothiazol-2-ylhydrazinylidene)ethyl]-5-methyl-2-furanyl]propanoate IUPAC Name: 3-[4-[(Z)-N-(1,3-benzothiazol-2-ylamino)-C-methylcarbonimidoyl]-5-methylfuran-2-yl]propanoate Traditional Name: 3-[4-[(Z)-N-(1,3-benzothiazol-2-ylamino)-C-methyl-carbonimidoyl]-5-methyl-2-furyl]propionate Formula: C17H16N3O3S- MolecularWeight: 342.39224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CCC(=O)[O-])C(=NNC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=C(C=C(O1)CCC(=O)[O-])/C(=N\NC2=NC3=CC=CC=C3S2)/C

InChI

InChI=1S/C17H17N3O3S/c1-10(13-9-12(23-11(13)2)7-8-16(21)22)19-20-17-18-14-5-3-4-6-15(14)24-17/h3-6,9H,7-8H2,1-2H3,(H,18,20)(H,21,22)/p-1/b19-10-