2-(2-azanyl-1,3-benzothiazol-6-yl)-2-(phenylmethoxycarbonylamino)ethanoic acid

Systemtic Name: 2-(2-azanyl-1,3-benzothiazol-6-yl)-2-(phenylmethoxycarbonylamino)ethanoic acid Openeye Name: 2-(2-amino-1,3-benzothiazol-6-yl)-2-(benzyloxycarbonylamino)acetic acid CAS Name: 2-(2-amino-1,3-benzothiazol-6-yl)-2-(phenylmethoxycarbonylamino)acetic acid IUPAC Name: 2-(2-amino-1,3-benzothiazol-6-yl)-2-(phenylmethoxycarbonylamino)acetic acid Traditional Name: 2-(2-amino-1,3-benzothiazol-6-yl)-2-(benzyloxycarbonylamino)acetic acid Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(C2=CC3=C(C=C2)N=C(S3)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(C2=CC3=C(C=C2)N=C(S3)N)C(=O)O

InChI

InChI=1S/C17H15N3O4S/c18-16-19-12-7-6-11(8-13(12)25-16)14(15(21)22)20-17(23)24-9-10-4-2-1-3-5-10/h1-8,14H,9H2,(H2,18,19)(H,20,23)(H,21,22)