3-[2-[2-[(2-azanyl-1,3-benzothiazol-6-yl)carbonylamino]ethoxy]-4-carbamimidoyl-phenyl]-2-oxidanylidene-propanoic acid

Systemtic Name: 3-[2-[2-[(2-azanyl-1,3-benzothiazol-6-yl)carbonylamino]ethoxy]-4-carbamimidoyl-phenyl]-2-oxidanylidene-propanoic acid Openeye Name: 3-[2-[2-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]ethoxy]-4-carbamimidoyl-phenyl]-2-oxo-propanoic acid CAS Name: 3-[2-[2-[[(2-amino-1,3-benzothiazol-6-yl)-oxomethyl]amino]ethoxy]-4-carbamimidoylphenyl]-2-oxopropanoic acid IUPAC Name: 3-[2-[2-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]ethoxy]-4-carbamimidoylphenyl]-2-oxopropanoic acid Traditional Name: 3-[4-amidino-2-[2-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]ethoxy]phenyl]-2-keto-propionic acid Formula: C20H19N5O5S MolecularWeight: 441.46036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=N)N)OCCNC(=O)C2=CC3=C(C=C2)N=C(S3)N)CC(=O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=N)N)OCCNC(=O)C2=CC3=C(C=C2)N=C(S3)N)CC(=O)C(=O)O

InChI

InChI=1S/C20H19N5O5S/c21-17(22)11-2-1-10(7-14(26)19(28)29)15(8-11)30-6-5-24-18(27)12-3-4-13-16(9-12)31-20(23)25-13/h1-4,8-9H,5-7H2,(H3,21,22)(H2,23,25)(H,24,27)(H,28,29)