methyl 2-[(1,3-benzothiazol-2-ylamino)-methanethioyl-amino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[(1,3-benzothiazol-2-ylamino)-methanethioyl-amino]-3-phenyl-propanoate Openeye Name: methyl 2-[(1,3-benzothiazol-2-ylamino)-methanethioyl-amino]-3-phenyl-propanoate CAS Name: 2-[(1,3-benzothiazol-2-ylamino)-methanethioylamino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[(1,3-benzothiazol-2-ylamino)-methanethioylamino]-3-phenylpropanoate Traditional Name: 2-[(1,3-benzothiazol-2-ylamino)-thioformyl-amino]-3-phenyl-propionic acid methyl ester Formula: C18H17N3O2S2 MolecularWeight: 371.47648

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)N(C=S)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)N(C=S)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H17N3O2S2/c1-23-17(22)15(11-13-7-3-2-4-8-13)21(12-24)20-18-19-14-9-5-6-10-16(14)25-18/h2-10,12,15H,11H2,1H3,(H,19,20)